N'-(1H-imidazol-2-ylmethyl)-N,N-dipropyl-N'-(3H-pyrrol-2-ylmethyl)nonane-1,9-diamine

C24H43N5 — CID 58154867

IUPACN'-(1H-imidazol-2-ylmethyl)-N,N-dipropyl-N'-(3H-pyrrol-2-ylmethyl)nonane-1,9-diamine
SMILESCCCN(CCC)CCCCCCCCCN(CC1=NC=CC1)Cc1ncc[nH]1
InChIInChI=1S/C24H43N5/c1-3-17-28(18-4-2)19-10-8-6-5-7-9-11-20-29(21-23-13-12-14-25-23)22-24-26-15-16-27-24/h12,14-16H,3-11,13,17-22H2,1-2H3,(H,26,27)
InChIKeyRXCJTLGCRPKBMF-UHFFFAOYSA-N
MW401.64 g/mol
LogP5.42
Rot. Bonds18

About N'-(1H-imidazol-2-ylmethyl)-N,N-dipropyl-N'-(3H-pyrrol-2-ylmethyl)nonane-1,9-diamine

N'-(1H-imidazol-2-ylmethyl)-N,N-dipropyl-N'-(3H-pyrrol-2-ylmethyl)nonane-1,9-diamine (PubChem CID 58154867) has the molecular formula C24H43N5 and a molecular weight of 401.64 g/mol. Its IUPAC name is N'-(1H-imidazol-2-ylmethyl)-N,N-dipropyl-N'-(3H-pyrrol-2-ylmethyl)nonane-1,9-diamine.

Molecular Properties

Compound NameN'-(1H-imidazol-2-ylmethyl)-N,N-dipropyl-N'-(3H-pyrrol-2-ylmethyl)nonane-1,9-diamine
PubChem CID58154867
Molecular FormulaC24H43N5
Molecular Weight401.64 g/mol
Exact Mass401.35
IUPAC NameN'-(1H-imidazol-2-ylmethyl)-N,N-dipropyl-N'-(3H-pyrrol-2-ylmethyl)nonane-1,9-diamine
SMILESCCCN(CCC)CCCCCCCCCN(CC1=NC=CC1)Cc1ncc[nH]1
InChIInChI=1S/C24H43N5/c1-3-17-28(18-4-2)19-10-8-6-5-7-9-11-20-29(21-23-13-12-14-25-23)22-24-26-15-16-27-24/h12,14-16H,3-11,13,17-22H2,1-2H3,(H,26,27)
InChIKeyRXCJTLGCRPKBMF-UHFFFAOYSA-N
XLogP5.42
TPSA47.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.64
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(1H-imidazol-2-ylmethyl)-N,N-dipropyl-N'-(3H-pyrrol-2-ylmethyl)nonane-1,9-diamine 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'-(1H-imidazol-2-ylmethyl)-N,N-dipropyl-N'-(3H-pyrrol-2-ylmethyl)nonane-1,9-diamine?
The IUPAC name of N'-(1H-imidazol-2-ylmethyl)-N,N-dipropyl-N'-(3H-pyrrol-2-ylmethyl)nonane-1,9-diamine (CID 58154867) is N'-(1H-imidazol-2-ylmethyl)-N,N-dipropyl-N'-(3H-pyrrol-2-ylmethyl)nonane-1,9-diamine.
What is the SMILES notation for N'-(1H-imidazol-2-ylmethyl)-N,N-dipropyl-N'-(3H-pyrrol-2-ylmethyl)nonane-1,9-diamine?
The canonical SMILES for N'-(1H-imidazol-2-ylmethyl)-N,N-dipropyl-N'-(3H-pyrrol-2-ylmethyl)nonane-1,9-diamine is CCCN(CCC)CCCCCCCCCN(CC1=NC=CC1)Cc1ncc[nH]1.
What is the InChIKey of N'-(1H-imidazol-2-ylmethyl)-N,N-dipropyl-N'-(3H-pyrrol-2-ylmethyl)nonane-1,9-diamine?
The InChIKey is RXCJTLGCRPKBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43N5/c1-3-17-28(18-4-2)19-10-8-6-5-7-9-11-20-29(21-23-13-12-14-25-23)22-24-26-15-16-27-24/h12,14-16H,3-11,13,17-22H2,1-2H3,(H,26,27).
What are the key properties of N'-(1H-imidazol-2-ylmethyl)-N,N-dipropyl-N'-(3H-pyrrol-2-ylmethyl)nonane-1,9-diamine?
N'-(1H-imidazol-2-ylmethyl)-N,N-dipropyl-N'-(3H-pyrrol-2-ylmethyl)nonane-1,9-diamine has a molecular weight of 401.64 g/mol, XLogP of 5.42, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-imidazol-2-ylmethyl)-N,N-dipropyl-N'-(3H-pyrrol-2-ylmethyl)nonane-1,9-diamine is sourced from PubChem (CID 58154867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).