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

C19H33N5 — CID 140833493

IUPACN,N-bis[3-(1H-imidazol-2-yl)propyl]heptan-1-amine
SMILESCCCCCCCN(CCCc1ncc[nH]1)CCCc1ncc[nH]1
InChIInChI=1S/C19H33N5/c1-2-3-4-5-6-15-24(16-7-9-18-20-11-12-21-18)17-8-10-19-22-13-14-23-19/h11-14H,2-10,15-17H2,1H3,(H,20,21)(H,22,23)
InChIKeyXGUMAPGPYJRXAJ-UHFFFAOYSA-N
MW331.51 g/mol
LogP3.97
Rot. Bonds14

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

N,N-bis[3-(1H-imidazol-2-yl)propyl]heptan-1-amine (PubChem CID 140833493) has the molecular formula C19H33N5 and a molecular weight of 331.51 g/mol. Its IUPAC name is N,N-bis[3-(1H-imidazol-2-yl)propyl]heptan-1-amine.

Molecular Properties

Compound NameN,N-bis[3-(1H-imidazol-2-yl)propyl]heptan-1-amine
PubChem CID140833493
Molecular FormulaC19H33N5
Molecular Weight331.51 g/mol
Exact Mass331.27
IUPAC NameN,N-bis[3-(1H-imidazol-2-yl)propyl]heptan-1-amine
SMILESCCCCCCCN(CCCc1ncc[nH]1)CCCc1ncc[nH]1
InChIInChI=1S/C19H33N5/c1-2-3-4-5-6-15-24(16-7-9-18-20-11-12-21-18)17-8-10-19-22-13-14-23-19/h11-14H,2-10,15-17H2,1H3,(H,20,21)(H,22,23)
InChIKeyXGUMAPGPYJRXAJ-UHFFFAOYSA-N
XLogP3.97
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis[3-(1H-imidazol-2-yl)propyl]butan-1-amine
CID 140833512
2-octyl-1H-imidazole
CID 18347297
2-dodecyl-1H-imidazole
CID 22019838
2-octadecyl-1H-imidazole
CID 54221067
2-decyl-1H-imidazole
CID 3089145
2-hexadecyl-1H-imidazole;hydrobromide
CID 175342933
2-butyl-1H-imidazole;hydrochloride
CID 141134528
2-butyl-1H-imidazole;cyclohexane
CID 173413359
2-hexadecyl-1H-imidazole;urea
CID 174763574
2-(3-pentylnonyl)-1H-imidazole
CID 130279651
2-hexyl-1H-imidazole;trifluoromethanesulfonic acid
CID 171931075
2-butyl-1H-imidazole;hexanoic acid
CID 175164203

Frequently Asked Questions

What is the IUPAC name of N,N-bis[3-(1H-imidazol-2-yl)propyl]heptan-1-amine?
The IUPAC name of N,N-bis[3-(1H-imidazol-2-yl)propyl]heptan-1-amine (CID 140833493) is N,N-bis[3-(1H-imidazol-2-yl)propyl]heptan-1-amine.
What is the SMILES notation for N,N-bis[3-(1H-imidazol-2-yl)propyl]heptan-1-amine?
The canonical SMILES for N,N-bis[3-(1H-imidazol-2-yl)propyl]heptan-1-amine is CCCCCCCN(CCCc1ncc[nH]1)CCCc1ncc[nH]1.
What is the InChIKey of N,N-bis[3-(1H-imidazol-2-yl)propyl]heptan-1-amine?
The InChIKey is XGUMAPGPYJRXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5/c1-2-3-4-5-6-15-24(16-7-9-18-20-11-12-21-18)17-8-10-19-22-13-14-23-19/h11-14H,2-10,15-17H2,1H3,(H,20,21)(H,22,23).
What are the key properties of N,N-bis[3-(1H-imidazol-2-yl)propyl]heptan-1-amine?
N,N-bis[3-(1H-imidazol-2-yl)propyl]heptan-1-amine has a molecular weight of 331.51 g/mol, XLogP of 3.97, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[3-(1H-imidazol-2-yl)propyl]heptan-1-amine is sourced from PubChem (CID 140833493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).