N-(3-imidazol-1-ylpropyl)-6-methyltridecan-6-amine

C20H39N3 — CID 146436404

IUPACN-(3-imidazol-1-ylpropyl)-6-methyltridecan-6-amine
SMILESCCCCCCCC(C)(CCCCC)NCCCn1ccnc1
InChIInChI=1S/C20H39N3/c1-4-6-8-9-11-14-20(3,13-10-7-5-2)22-15-12-17-23-18-16-21-19-23/h16,18-19,22H,4-15,17H2,1-3H3
InChIKeyAVEKPESUKBVOGQ-UHFFFAOYSA-N
MW321.55 g/mol
LogP5.56
Rot. Bonds15

About N-(3-imidazol-1-ylpropyl)-6-methyltridecan-6-amine

N-(3-imidazol-1-ylpropyl)-6-methyltridecan-6-amine (PubChem CID 146436404) has the molecular formula C20H39N3 and a molecular weight of 321.55 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-6-methyltridecan-6-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-6-methyltridecan-6-amine
PubChem CID146436404
Molecular FormulaC20H39N3
Molecular Weight321.55 g/mol
Exact Mass321.31
IUPAC NameN-(3-imidazol-1-ylpropyl)-6-methyltridecan-6-amine
SMILESCCCCCCCC(C)(CCCCC)NCCCn1ccnc1
InChIInChI=1S/C20H39N3/c1-4-6-8-9-11-14-20(3,13-10-7-5-2)22-15-12-17-23-18-16-21-19-23/h16,18-19,22H,4-15,17H2,1-3H3
InChIKeyAVEKPESUKBVOGQ-UHFFFAOYSA-N
XLogP5.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.55
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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carbonic acid;1-dodecylimidazole
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sodium;1-butylimidazole;bromide
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N-(3-imidazol-1-ylpropyl)tridecanamide
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1-(3-imidazol-1-ylpropyl)-2-methyl-3-nonylguanidine
CID 111386093
N'-(3-imidazol-1-ylpropyl)-N-propylethane-1,2-diamine
CID 53216159
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CID 175546754
6-N-hexadecyl-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-6-methyltridecan-6-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-6-methyltridecan-6-amine (CID 146436404) is N-(3-imidazol-1-ylpropyl)-6-methyltridecan-6-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-6-methyltridecan-6-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-6-methyltridecan-6-amine is CCCCCCCC(C)(CCCCC)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-6-methyltridecan-6-amine?
The InChIKey is AVEKPESUKBVOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3/c1-4-6-8-9-11-14-20(3,13-10-7-5-2)22-15-12-17-23-18-16-21-19-23/h16,18-19,22H,4-15,17H2,1-3H3.
What are the key properties of N-(3-imidazol-1-ylpropyl)-6-methyltridecan-6-amine?
N-(3-imidazol-1-ylpropyl)-6-methyltridecan-6-amine has a molecular weight of 321.55 g/mol, XLogP of 5.56, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-6-methyltridecan-6-amine is sourced from PubChem (CID 146436404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).