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

C16H27N5 — CID 140833512

IUPACN,N-bis[3-(1H-imidazol-2-yl)propyl]butan-1-amine
SMILESCCCCN(CCCc1ncc[nH]1)CCCc1ncc[nH]1
InChIInChI=1S/C16H27N5/c1-2-3-12-21(13-4-6-15-17-8-9-18-15)14-5-7-16-19-10-11-20-16/h8-11H,2-7,12-14H2,1H3,(H,17,18)(H,19,20)
InChIKeyJERSZZWYUGJCGF-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.80
Rot. Bonds11

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

N,N-bis[3-(1H-imidazol-2-yl)propyl]butan-1-amine (PubChem CID 140833512) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is N,N-bis[3-(1H-imidazol-2-yl)propyl]butan-1-amine.

Molecular Properties

Compound NameN,N-bis[3-(1H-imidazol-2-yl)propyl]butan-1-amine
PubChem CID140833512
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC NameN,N-bis[3-(1H-imidazol-2-yl)propyl]butan-1-amine
SMILESCCCCN(CCCc1ncc[nH]1)CCCc1ncc[nH]1
InChIInChI=1S/C16H27N5/c1-2-3-12-21(13-4-6-15-17-8-9-18-15)14-5-7-16-19-10-11-20-16/h8-11H,2-7,12-14H2,1H3,(H,17,18)(H,19,20)
InChIKeyJERSZZWYUGJCGF-UHFFFAOYSA-N
XLogP2.80
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis[3-(1H-imidazol-2-yl)propyl]heptan-1-amine
CID 140833493
2-butyl-1H-imidazole;hydrochloride
CID 141134528
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;cyclohexane
CID 173413359
2-hexadecyl-1H-imidazole;urea
CID 174763574
ethane;3-(1H-imidazol-2-yl)-N-methylpropan-1-amine
CID 142295385
2-butyl-1H-imidazole;hexanoic acid
CID 175164203
ethane;2-ethyl-1H-imidazole
CID 144736598

Frequently Asked Questions

What is the IUPAC name of N,N-bis[3-(1H-imidazol-2-yl)propyl]butan-1-amine?
The IUPAC name of N,N-bis[3-(1H-imidazol-2-yl)propyl]butan-1-amine (CID 140833512) is N,N-bis[3-(1H-imidazol-2-yl)propyl]butan-1-amine.
What is the SMILES notation for N,N-bis[3-(1H-imidazol-2-yl)propyl]butan-1-amine?
The canonical SMILES for N,N-bis[3-(1H-imidazol-2-yl)propyl]butan-1-amine is CCCCN(CCCc1ncc[nH]1)CCCc1ncc[nH]1.
What is the InChIKey of N,N-bis[3-(1H-imidazol-2-yl)propyl]butan-1-amine?
The InChIKey is JERSZZWYUGJCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-2-3-12-21(13-4-6-15-17-8-9-18-15)14-5-7-16-19-10-11-20-16/h8-11H,2-7,12-14H2,1H3,(H,17,18)(H,19,20).
What are the key properties of N,N-bis[3-(1H-imidazol-2-yl)propyl]butan-1-amine?
N,N-bis[3-(1H-imidazol-2-yl)propyl]butan-1-amine has a molecular weight of 289.43 g/mol, XLogP of 2.80, 11 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]butan-1-amine is sourced from PubChem (CID 140833512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).