N-butyl-N-(1H-imidazol-5-ylmethyl)cycloheptanamine

C15H27N3 — CID 131928643

IUPACN-butyl-N-(1H-imidazol-5-ylmethyl)cycloheptanamine
SMILESCCCCN(Cc1cnc[nH]1)C1CCCCCC1
InChIInChI=1S/C15H27N3/c1-2-3-10-18(12-14-11-16-13-17-14)15-8-6-4-5-7-9-15/h11,13,15H,2-10,12H2,1H3,(H,16,17)
InChIKeyPIXUPCLNLNUOGT-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.73
Rot. Bonds6

About N-butyl-N-(1H-imidazol-5-ylmethyl)cycloheptanamine

N-butyl-N-(1H-imidazol-5-ylmethyl)cycloheptanamine (PubChem CID 131928643) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-butyl-N-(1H-imidazol-5-ylmethyl)cycloheptanamine.

Molecular Properties

Compound NameN-butyl-N-(1H-imidazol-5-ylmethyl)cycloheptanamine
PubChem CID131928643
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-butyl-N-(1H-imidazol-5-ylmethyl)cycloheptanamine
SMILESCCCCN(Cc1cnc[nH]1)C1CCCCCC1
InChIInChI=1S/C15H27N3/c1-2-3-10-18(12-14-11-16-13-17-14)15-8-6-4-5-7-9-15/h11,13,15H,2-10,12H2,1H3,(H,16,17)
InChIKeyPIXUPCLNLNUOGT-UHFFFAOYSA-N
XLogP3.73
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Vuf 5207
CID 11672774
Vuf 4904
CID 11492393
4-(1H-imidazol-5-yl)-N-propylbutan-1-amine
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4-(1H-imidazol-5-yl)-N-propan-2-ylbutan-1-amine
CID 11600780
N-butyl-4-(1H-imidazol-5-yl)butan-1-amine
CID 11622495
N-Ethyl-4-(1H-imidazol-4-yl)butan-1-amine
CID 11694543
4-(2-(Cyclohexylamino)ethyl)-1H-imidazole
CID 12647300
N,N-diethyl-5-(1H-imidazol-5-yl)pentan-1-amine
CID 11492189
5-(1H-imidazol-5-yl)-N-(2-methylpropyl)pentan-1-amine
CID 11499453
N-tert-butyl-5-(1H-imidazol-5-yl)pentan-1-amine
CID 11499454
N-[4-(1H-imidazol-5-yl)butyl]cycloheptanamine
CID 11506928
N-[5-(1H-imidazol-5-yl)pentyl]cycloheptanamine
CID 11536119

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(1H-imidazol-5-ylmethyl)cycloheptanamine?
The IUPAC name of N-butyl-N-(1H-imidazol-5-ylmethyl)cycloheptanamine (CID 131928643) is N-butyl-N-(1H-imidazol-5-ylmethyl)cycloheptanamine.
What is the SMILES notation for N-butyl-N-(1H-imidazol-5-ylmethyl)cycloheptanamine?
The canonical SMILES for N-butyl-N-(1H-imidazol-5-ylmethyl)cycloheptanamine is CCCCN(Cc1cnc[nH]1)C1CCCCCC1.
What is the InChIKey of N-butyl-N-(1H-imidazol-5-ylmethyl)cycloheptanamine?
The InChIKey is PIXUPCLNLNUOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-2-3-10-18(12-14-11-16-13-17-14)15-8-6-4-5-7-9-15/h11,13,15H,2-10,12H2,1H3,(H,16,17).
What are the key properties of N-butyl-N-(1H-imidazol-5-ylmethyl)cycloheptanamine?
N-butyl-N-(1H-imidazol-5-ylmethyl)cycloheptanamine has a molecular weight of 249.40 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(1H-imidazol-5-ylmethyl)cycloheptanamine is sourced from PubChem (CID 131928643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).