5-amino-N-[2-[2-(6-aminohex-1-en-2-ylamino)ethyl-propanoylamino]ethyl]pentanamide

C18H37N5O2 — CID 167269351

IUPAC5-amino-N-[2-[2-(6-aminohex-1-en-2-ylamino)ethyl-propanoylamino]ethyl]pentanamide
SMILESC=C(CCCCN)NCCN(CCNC(=O)CCCCN)C(=O)CC
InChIInChI=1S/C18H37N5O2/c1-3-18(25)23(14-12-21-16(2)8-4-6-10-19)15-13-22-17(24)9-5-7-11-20/h21H,2-15,19-20H2,1H3,(H,22,24)
InChIKeyMRXOHVUADYDCAC-UHFFFAOYSA-N
MW355.53 g/mol
LogP0.70
Rot. Bonds16

About 5-amino-N-[2-[2-(6-aminohex-1-en-2-ylamino)ethyl-propanoylamino]ethyl]pentanamide

5-amino-N-[2-[2-(6-aminohex-1-en-2-ylamino)ethyl-propanoylamino]ethyl]pentanamide (PubChem CID 167269351) has the molecular formula C18H37N5O2 and a molecular weight of 355.53 g/mol. Its IUPAC name is 5-amino-N-[2-[2-(6-aminohex-1-en-2-ylamino)ethyl-propanoylamino]ethyl]pentanamide.

Molecular Properties

Compound Name5-amino-N-[2-[2-(6-aminohex-1-en-2-ylamino)ethyl-propanoylamino]ethyl]pentanamide
PubChem CID167269351
Molecular FormulaC18H37N5O2
Molecular Weight355.53 g/mol
Exact Mass355.29
IUPAC Name5-amino-N-[2-[2-(6-aminohex-1-en-2-ylamino)ethyl-propanoylamino]ethyl]pentanamide
SMILESC=C(CCCCN)NCCN(CCNC(=O)CCCCN)C(=O)CC
InChIInChI=1S/C18H37N5O2/c1-3-18(25)23(14-12-21-16(2)8-4-6-10-19)15-13-22-17(24)9-5-7-11-20/h21H,2-15,19-20H2,1H3,(H,22,24)
InChIKeyMRXOHVUADYDCAC-UHFFFAOYSA-N
XLogP0.70
TPSA113.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 13255836
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N-[2-[2-(2-aminoethylamino)ethyl-docosanoylamino]ethyl]docosanamide
CID 21492333
N-[2-[octanoyl-[2-(octanoylamino)ethyl]amino]ethyl]octanamide
CID 90402751
7-amino-N-[2-[ethyl(methyl)amino]ethyl]heptanamide;dihydrochloride
CID 119866060
5-amino-N-[5-(propanoylamino)pentyl]pentanamide
CID 170966361
6-amino-N-butylhexanamide
CID 14914743
7-amino-N-butylheptanamide
CID 24689519
7-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]heptanamide
CID 62642436
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
N-(4-aminobutyl)tetracosanamide
CID 171117181

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-[2-(6-aminohex-1-en-2-ylamino)ethyl-propanoylamino]ethyl]pentanamide?
The IUPAC name of 5-amino-N-[2-[2-(6-aminohex-1-en-2-ylamino)ethyl-propanoylamino]ethyl]pentanamide (CID 167269351) is 5-amino-N-[2-[2-(6-aminohex-1-en-2-ylamino)ethyl-propanoylamino]ethyl]pentanamide.
What is the SMILES notation for 5-amino-N-[2-[2-(6-aminohex-1-en-2-ylamino)ethyl-propanoylamino]ethyl]pentanamide?
The canonical SMILES for 5-amino-N-[2-[2-(6-aminohex-1-en-2-ylamino)ethyl-propanoylamino]ethyl]pentanamide is C=C(CCCCN)NCCN(CCNC(=O)CCCCN)C(=O)CC.
What is the InChIKey of 5-amino-N-[2-[2-(6-aminohex-1-en-2-ylamino)ethyl-propanoylamino]ethyl]pentanamide?
The InChIKey is MRXOHVUADYDCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N5O2/c1-3-18(25)23(14-12-21-16(2)8-4-6-10-19)15-13-22-17(24)9-5-7-11-20/h21H,2-15,19-20H2,1H3,(H,22,24).
What are the key properties of 5-amino-N-[2-[2-(6-aminohex-1-en-2-ylamino)ethyl-propanoylamino]ethyl]pentanamide?
5-amino-N-[2-[2-(6-aminohex-1-en-2-ylamino)ethyl-propanoylamino]ethyl]pentanamide has a molecular weight of 355.53 g/mol, XLogP of 0.70, 16 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-[2-(6-aminohex-1-en-2-ylamino)ethyl-propanoylamino]ethyl]pentanamide is sourced from PubChem (CID 167269351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).