N,N-bis[3-(2-methyl-1H-imidazol-5-yl)propyl]pentan-1-amine

C19H33N5 — CID 140833499

IUPACN,N-bis[3-(2-methyl-1H-imidazol-5-yl)propyl]pentan-1-amine
SMILESCCCCCN(CCCc1cnc(C)[nH]1)CCCc1cnc(C)[nH]1
InChIInChI=1S/C19H33N5/c1-4-5-6-11-24(12-7-9-18-14-20-16(2)22-18)13-8-10-19-15-21-17(3)23-19/h14-15H,4-13H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyUGYORUNNCCFCJZ-UHFFFAOYSA-N
MW331.51 g/mol
LogP3.81
Rot. Bonds12

About N,N-bis[3-(2-methyl-1H-imidazol-5-yl)propyl]pentan-1-amine

N,N-bis[3-(2-methyl-1H-imidazol-5-yl)propyl]pentan-1-amine (PubChem CID 140833499) has the molecular formula C19H33N5 and a molecular weight of 331.51 g/mol. Its IUPAC name is N,N-bis[3-(2-methyl-1H-imidazol-5-yl)propyl]pentan-1-amine.

Molecular Properties

Compound NameN,N-bis[3-(2-methyl-1H-imidazol-5-yl)propyl]pentan-1-amine
PubChem CID140833499
Molecular FormulaC19H33N5
Molecular Weight331.51 g/mol
Exact Mass331.27
IUPAC NameN,N-bis[3-(2-methyl-1H-imidazol-5-yl)propyl]pentan-1-amine
SMILESCCCCCN(CCCc1cnc(C)[nH]1)CCCc1cnc(C)[nH]1
InChIInChI=1S/C19H33N5/c1-4-5-6-11-24(12-7-9-18-14-20-16(2)22-18)13-8-10-19-15-21-17(3)23-19/h14-15H,4-13H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyUGYORUNNCCFCJZ-UHFFFAOYSA-N
XLogP3.81
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-bis[3-(2-methyl-1H-imidazol-5-yl)propyl]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

Frequently Asked Questions

What is the IUPAC name of N,N-bis[3-(2-methyl-1H-imidazol-5-yl)propyl]pentan-1-amine?
The IUPAC name of N,N-bis[3-(2-methyl-1H-imidazol-5-yl)propyl]pentan-1-amine (CID 140833499) is N,N-bis[3-(2-methyl-1H-imidazol-5-yl)propyl]pentan-1-amine.
What is the SMILES notation for N,N-bis[3-(2-methyl-1H-imidazol-5-yl)propyl]pentan-1-amine?
The canonical SMILES for N,N-bis[3-(2-methyl-1H-imidazol-5-yl)propyl]pentan-1-amine is CCCCCN(CCCc1cnc(C)[nH]1)CCCc1cnc(C)[nH]1.
What is the InChIKey of N,N-bis[3-(2-methyl-1H-imidazol-5-yl)propyl]pentan-1-amine?
The InChIKey is UGYORUNNCCFCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5/c1-4-5-6-11-24(12-7-9-18-14-20-16(2)22-18)13-8-10-19-15-21-17(3)23-19/h14-15H,4-13H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N,N-bis[3-(2-methyl-1H-imidazol-5-yl)propyl]pentan-1-amine?
N,N-bis[3-(2-methyl-1H-imidazol-5-yl)propyl]pentan-1-amine has a molecular weight of 331.51 g/mol, XLogP of 3.81, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[3-(2-methyl-1H-imidazol-5-yl)propyl]pentan-1-amine is sourced from PubChem (CID 140833499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).