2-[4-(3-imidazol-1-ylpropyl)piperazin-1-yl]pentan-1-amine

C15H29N5 — CID 63343574

IUPAC2-[4-(3-imidazol-1-ylpropyl)piperazin-1-yl]pentan-1-amine
SMILESCCCC(CN)N1CCN(CCCn2ccnc2)CC1
InChIInChI=1S/C15H29N5/c1-2-4-15(13-16)20-11-9-18(10-12-20)6-3-7-19-8-5-17-14-19/h5,8,14-15H,2-4,6-7,9-13,16H2,1H3
InChIKeyOAASCEJFBUBSNU-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.02
Rot. Bonds8

About 2-[4-(3-imidazol-1-ylpropyl)piperazin-1-yl]pentan-1-amine

2-[4-(3-imidazol-1-ylpropyl)piperazin-1-yl]pentan-1-amine (PubChem CID 63343574) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-[4-(3-imidazol-1-ylpropyl)piperazin-1-yl]pentan-1-amine.

Molecular Properties

Compound Name2-[4-(3-imidazol-1-ylpropyl)piperazin-1-yl]pentan-1-amine
PubChem CID63343574
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name2-[4-(3-imidazol-1-ylpropyl)piperazin-1-yl]pentan-1-amine
SMILESCCCC(CN)N1CCN(CCCn2ccnc2)CC1
InChIInChI=1S/C15H29N5/c1-2-4-15(13-16)20-11-9-18(10-12-20)6-3-7-19-8-5-17-14-19/h5,8,14-15H,2-4,6-7,9-13,16H2,1H3
InChIKeyOAASCEJFBUBSNU-UHFFFAOYSA-N
XLogP1.02
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(3-imidazol-1-ylpropyl)piperazin-1-yl]pentan-1-amine 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

1-(3-imidazol-1-ylpropyl)-4-propylpiperazine
CID 174856512
2-[4-(3-imidazol-1-ylpropyl)piperazin-1-yl]butanethioamide
CID 63341838
4-[4-(1-aminopentan-2-yl)piperazin-1-yl]butan-1-ol
CID 55202942
2-[4-(3-imidazol-1-ylpropyl)-1,4-diazepan-1-yl]ethanamine
CID 55149857
6-[4-(1-aminopentan-2-yl)piperazin-1-yl]hexan-1-ol
CID 107703012
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-1-amine
CID 62885074
1-[1-(3-imidazol-1-ylpropyl)piperidin-4-yl]-N-methylethanamine
CID 63853072
[1-(3-imidazol-1-ylpropyl)piperidin-3-yl]methanamine
CID 61493085
sodium;1-butylimidazole;bromide
CID 175480877
(3S)-1-(3-imidazol-1-ylpropyl)pyrrolidin-3-ol
CID 79031633
1-[1,3-bis[(9Z,12Z)-octadeca-9,12-dienoxy]propan-2-yl]-4-(2-imidazol-1-ylethyl)piperazine
CID 68661446
(2R)-N-(3-imidazol-1-ylpropyl)-2-methylpentan-1-amine
CID 28993669

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-imidazol-1-ylpropyl)piperazin-1-yl]pentan-1-amine?
The IUPAC name of 2-[4-(3-imidazol-1-ylpropyl)piperazin-1-yl]pentan-1-amine (CID 63343574) is 2-[4-(3-imidazol-1-ylpropyl)piperazin-1-yl]pentan-1-amine.
What is the SMILES notation for 2-[4-(3-imidazol-1-ylpropyl)piperazin-1-yl]pentan-1-amine?
The canonical SMILES for 2-[4-(3-imidazol-1-ylpropyl)piperazin-1-yl]pentan-1-amine is CCCC(CN)N1CCN(CCCn2ccnc2)CC1.
What is the InChIKey of 2-[4-(3-imidazol-1-ylpropyl)piperazin-1-yl]pentan-1-amine?
The InChIKey is OAASCEJFBUBSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-2-4-15(13-16)20-11-9-18(10-12-20)6-3-7-19-8-5-17-14-19/h5,8,14-15H,2-4,6-7,9-13,16H2,1H3.
What are the key properties of 2-[4-(3-imidazol-1-ylpropyl)piperazin-1-yl]pentan-1-amine?
2-[4-(3-imidazol-1-ylpropyl)piperazin-1-yl]pentan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 1.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-imidazol-1-ylpropyl)piperazin-1-yl]pentan-1-amine is sourced from PubChem (CID 63343574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).