3-[1-(2-aminopropoxy)propan-2-ylamino]-N-[2-[2-[2-[2-[3-[1-(2-aminopropoxy)propan-2-ylamino]propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide

C26H59N9O4 — CID 118629494

IUPAC3-[1-(2-aminopropoxy)propan-2-ylamino]-N-[2-[2-[2-[2-[3-[1-(2-aminopropoxy)propan-2-ylamino]propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide
SMILESCC(N)COCC(C)NCCC(=O)NCCNCCNCCNCCNC(=O)CCNC(C)COCC(C)N
InChIInChI=1S/C26H59N9O4/c1-21(27)17-38-19-23(3)32-7-5-25(36)34-15-13-30-11-9-29-10-12-31-14-16-35-26(37)6-8-33-24(4)20-39-18-22(2)28/h21-24,29-33H,5-20,27-28H2,1-4H3,(H,34,36)(H,35,37)
InChIKeyDAYHBSQPRXQWLC-UHFFFAOYSA-N
MW561.82 g/mol
LogP-2.55
Rot. Bonds28

About 3-[1-(2-aminopropoxy)propan-2-ylamino]-N-[2-[2-[2-[2-[3-[1-(2-aminopropoxy)propan-2-ylamino]propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide

3-[1-(2-aminopropoxy)propan-2-ylamino]-N-[2-[2-[2-[2-[3-[1-(2-aminopropoxy)propan-2-ylamino]propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide (PubChem CID 118629494) has the molecular formula C26H59N9O4 and a molecular weight of 561.82 g/mol. Its IUPAC name is 3-[1-(2-aminopropoxy)propan-2-ylamino]-N-[2-[2-[2-[2-[3-[1-(2-aminopropoxy)propan-2-ylamino]propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide.

Molecular Properties

Compound Name3-[1-(2-aminopropoxy)propan-2-ylamino]-N-[2-[2-[2-[2-[3-[1-(2-aminopropoxy)propan-2-ylamino]propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide
PubChem CID118629494
Molecular FormulaC26H59N9O4
Molecular Weight561.82 g/mol
Exact Mass561.47
IUPAC Name3-[1-(2-aminopropoxy)propan-2-ylamino]-N-[2-[2-[2-[2-[3-[1-(2-aminopropoxy)propan-2-ylamino]propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide
SMILESCC(N)COCC(C)NCCC(=O)NCCNCCNCCNCCNC(=O)CCNC(C)COCC(C)N
InChIInChI=1S/C26H59N9O4/c1-21(27)17-38-19-23(3)32-7-5-25(36)34-15-13-30-11-9-29-10-12-31-14-16-35-26(37)6-8-33-24(4)20-39-18-22(2)28/h21-24,29-33H,5-20,27-28H2,1-4H3,(H,34,36)(H,35,37)
InChIKeyDAYHBSQPRXQWLC-UHFFFAOYSA-N
XLogP-2.55
TPSA188.85 Ų
H-Bond Donors9
H-Bond Acceptors11
Rotatable Bonds28
Heavy Atoms39
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500561.82
LogP ≤ 5-2.55
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[1-(2-aminopropoxy)propan-2-ylamino]-N-[2-[2-[2-[2-[3-[1-(2-aminopropoxy)propan-2-ylamino]propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide with MolForge

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Related Compounds

N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3-[1-(2-aminopropoxy)propan-2-ylamino]propanamide
CID 118629495
1-[2-(propylamino)propoxy]propan-2-amine
CID 59834050
4-amino-N-(2-oxoethyl)pentanamide
CID 143686044
2-[3-(propan-2-ylamino)propanoylamino]ethyl carbamate
CID 83210184
N-(2-methoxyethyl)-3-[(4-methoxy-4-methylpentan-2-yl)amino]propanamide
CID 113260438
N-(2-hydroxyethyl)-3-(propan-2-ylamino)propanamide
CID 60853066
(4R)-4-amino-N-propylpentanamide
CID 146234117
2-amino-N'-[2-(2-aminoethylamino)ethyl]-N-[3-(2-methoxyethoxy)propyl]pentanediamide
CID 155773621
4-amino-N-(3-ethoxypropyl)pentanamide;hydrochloride
CID 120558779
3-(propan-2-ylamino)-N-(2-prop-1-en-2-yloxyethyl)propanamide
CID 177062284
N-ethyl-3-(4-methoxybutan-2-ylamino)propanamide
CID 64603036
4-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide;hydrochloride
CID 120560806

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-aminopropoxy)propan-2-ylamino]-N-[2-[2-[2-[2-[3-[1-(2-aminopropoxy)propan-2-ylamino]propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide?
The IUPAC name of 3-[1-(2-aminopropoxy)propan-2-ylamino]-N-[2-[2-[2-[2-[3-[1-(2-aminopropoxy)propan-2-ylamino]propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide (CID 118629494) is 3-[1-(2-aminopropoxy)propan-2-ylamino]-N-[2-[2-[2-[2-[3-[1-(2-aminopropoxy)propan-2-ylamino]propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide.
What is the SMILES notation for 3-[1-(2-aminopropoxy)propan-2-ylamino]-N-[2-[2-[2-[2-[3-[1-(2-aminopropoxy)propan-2-ylamino]propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide?
The canonical SMILES for 3-[1-(2-aminopropoxy)propan-2-ylamino]-N-[2-[2-[2-[2-[3-[1-(2-aminopropoxy)propan-2-ylamino]propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide is CC(N)COCC(C)NCCC(=O)NCCNCCNCCNCCNC(=O)CCNC(C)COCC(C)N.
What is the InChIKey of 3-[1-(2-aminopropoxy)propan-2-ylamino]-N-[2-[2-[2-[2-[3-[1-(2-aminopropoxy)propan-2-ylamino]propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide?
The InChIKey is DAYHBSQPRXQWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H59N9O4/c1-21(27)17-38-19-23(3)32-7-5-25(36)34-15-13-30-11-9-29-10-12-31-14-16-35-26(37)6-8-33-24(4)20-39-18-22(2)28/h21-24,29-33H,5-20,27-28H2,1-4H3,(H,34,36)(H,35,37).
What are the key properties of 3-[1-(2-aminopropoxy)propan-2-ylamino]-N-[2-[2-[2-[2-[3-[1-(2-aminopropoxy)propan-2-ylamino]propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide?
3-[1-(2-aminopropoxy)propan-2-ylamino]-N-[2-[2-[2-[2-[3-[1-(2-aminopropoxy)propan-2-ylamino]propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide has a molecular weight of 561.82 g/mol, XLogP of -2.55, 28 rotatable bonds, 9 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-aminopropoxy)propan-2-ylamino]-N-[2-[2-[2-[2-[3-[1-(2-aminopropoxy)propan-2-ylamino]propanoylamino]ethylamino]ethylamino]ethylamino]ethyl]propanamide is sourced from PubChem (CID 118629494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).