3-[2-[bis[2-[(3-amino-3-propan-2-yliminopropyl)amino]ethyl]amino]ethylamino]-N'-propan-2-ylpropanimidamide

C24H54N10 — CID 165128044

IUPAC3-[2-[bis[2-[(3-amino-3-propan-2-yliminopropyl)amino]ethyl]amino]ethylamino]-N'-propan-2-ylpropanimidamide
SMILESCC(C)/N=C(\N)CCNCCN(CCNCC/C(N)=N/C(C)C)CCNCC/C(N)=N/C(C)C
InChIInChI=1S/C24H54N10/c1-19(2)31-22(25)7-10-28-13-16-34(17-14-29-11-8-23(26)32-20(3)4)18-15-30-12-9-24(27)33-21(5)6/h19-21,28-30H,7-18H2,1-6H3,(H2,25,31)(H2,26,32)(H2,27,33)
InChIKeyZONBBVYHXZMZOG-UHFFFAOYSA-N
MW482.77 g/mol
LogP0.52
Rot. Bonds21

About 3-[2-[bis[2-[(3-amino-3-propan-2-yliminopropyl)amino]ethyl]amino]ethylamino]-N'-propan-2-ylpropanimidamide

3-[2-[bis[2-[(3-amino-3-propan-2-yliminopropyl)amino]ethyl]amino]ethylamino]-N'-propan-2-ylpropanimidamide (PubChem CID 165128044) has the molecular formula C24H54N10 and a molecular weight of 482.77 g/mol. Its IUPAC name is 3-[2-[bis[2-[(3-amino-3-propan-2-yliminopropyl)amino]ethyl]amino]ethylamino]-N'-propan-2-ylpropanimidamide.

Molecular Properties

Compound Name3-[2-[bis[2-[(3-amino-3-propan-2-yliminopropyl)amino]ethyl]amino]ethylamino]-N'-propan-2-ylpropanimidamide
PubChem CID165128044
Molecular FormulaC24H54N10
Molecular Weight482.77 g/mol
Exact Mass482.45
IUPAC Name3-[2-[bis[2-[(3-amino-3-propan-2-yliminopropyl)amino]ethyl]amino]ethylamino]-N'-propan-2-ylpropanimidamide
SMILESCC(C)/N=C(\N)CCNCCN(CCNCC/C(N)=N/C(C)C)CCNCC/C(N)=N/C(C)C
InChIInChI=1S/C24H54N10/c1-19(2)31-22(25)7-10-28-13-16-34(17-14-29-11-8-23(26)32-20(3)4)18-15-30-12-9-24(27)33-21(5)6/h19-21,28-30H,7-18H2,1-6H3,(H2,25,31)(H2,26,32)(H2,27,33)
InChIKeyZONBBVYHXZMZOG-UHFFFAOYSA-N
XLogP0.52
TPSA154.47 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.77
LogP ≤ 50.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-[2-[bis[2-[(3-amino-3-propan-2-yliminopropyl)amino]ethyl]amino]ethylamino]-N'-propan-2-ylpropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide
CID 106034016
4-methyl-N'-propan-2-ylpentanimidamide
CID 63181653
5-[2-(diethylamino)ethylamino]-N'-hydroxypentanimidamide
CID 77026354
N-(2-methylpropyl)-N',N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
CID 101082542
methyl 3-[2-[bis(2-aminoethyl)amino]ethylamino]propanoate
CID 102046536
4-[2-(dimethylamino)ethylamino]-N'-hydroxybutanimidamide
CID 77029128
3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide
CID 58105683
N-propyl-N',N'-bis[2-(propylamino)ethyl]ethane-1,2-diamine
CID 122700758
4-[3-(dimethylamino)propylamino]-N'-hydroxybutanimidamide
CID 77029991
methyl 3-[2-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethylamino]propanoate
CID 88970270
1-N',14-N'-bis(1-hydroxyethyl)tetradecanediimidamide
CID 141081453
N'-ethyl-N'-(2-methylpropyl)-N-propylethane-1,2-diamine
CID 61386594

Frequently Asked Questions

What is the IUPAC name of 3-[2-[bis[2-[(3-amino-3-propan-2-yliminopropyl)amino]ethyl]amino]ethylamino]-N'-propan-2-ylpropanimidamide?
The IUPAC name of 3-[2-[bis[2-[(3-amino-3-propan-2-yliminopropyl)amino]ethyl]amino]ethylamino]-N'-propan-2-ylpropanimidamide (CID 165128044) is 3-[2-[bis[2-[(3-amino-3-propan-2-yliminopropyl)amino]ethyl]amino]ethylamino]-N'-propan-2-ylpropanimidamide.
What is the SMILES notation for 3-[2-[bis[2-[(3-amino-3-propan-2-yliminopropyl)amino]ethyl]amino]ethylamino]-N'-propan-2-ylpropanimidamide?
The canonical SMILES for 3-[2-[bis[2-[(3-amino-3-propan-2-yliminopropyl)amino]ethyl]amino]ethylamino]-N'-propan-2-ylpropanimidamide is CC(C)/N=C(\N)CCNCCN(CCNCC/C(N)=N/C(C)C)CCNCC/C(N)=N/C(C)C.
What is the InChIKey of 3-[2-[bis[2-[(3-amino-3-propan-2-yliminopropyl)amino]ethyl]amino]ethylamino]-N'-propan-2-ylpropanimidamide?
The InChIKey is ZONBBVYHXZMZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H54N10/c1-19(2)31-22(25)7-10-28-13-16-34(17-14-29-11-8-23(26)32-20(3)4)18-15-30-12-9-24(27)33-21(5)6/h19-21,28-30H,7-18H2,1-6H3,(H2,25,31)(H2,26,32)(H2,27,33).
What are the key properties of 3-[2-[bis[2-[(3-amino-3-propan-2-yliminopropyl)amino]ethyl]amino]ethylamino]-N'-propan-2-ylpropanimidamide?
3-[2-[bis[2-[(3-amino-3-propan-2-yliminopropyl)amino]ethyl]amino]ethylamino]-N'-propan-2-ylpropanimidamide has a molecular weight of 482.77 g/mol, XLogP of 0.52, 21 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[bis[2-[(3-amino-3-propan-2-yliminopropyl)amino]ethyl]amino]ethylamino]-N'-propan-2-ylpropanimidamide is sourced from PubChem (CID 165128044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).