1-cyclohexyl-2-(1-cyclopentyltetrazol-5-yl)-3-methylbutan-1-amine

C17H31N5 — CID 22298722

IUPAC1-cyclohexyl-2-(1-cyclopentyltetrazol-5-yl)-3-methylbutan-1-amine
SMILESCC(C)C(c1nnnn1C1CCCC1)C(N)C1CCCCC1
InChIInChI=1S/C17H31N5/c1-12(2)15(16(18)13-8-4-3-5-9-13)17-19-20-21-22(17)14-10-6-7-11-14/h12-16H,3-11,18H2,1-2H3
InChIKeyATVCRWVAUBYYNT-UHFFFAOYSA-N
MW305.47 g/mol
LogP3.44
Rot. Bonds5

About 1-cyclohexyl-2-(1-cyclopentyltetrazol-5-yl)-3-methylbutan-1-amine

1-cyclohexyl-2-(1-cyclopentyltetrazol-5-yl)-3-methylbutan-1-amine (PubChem CID 22298722) has the molecular formula C17H31N5 and a molecular weight of 305.47 g/mol. Its IUPAC name is 1-cyclohexyl-2-(1-cyclopentyltetrazol-5-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-2-(1-cyclopentyltetrazol-5-yl)-3-methylbutan-1-amine
PubChem CID22298722
Molecular FormulaC17H31N5
Molecular Weight305.47 g/mol
Exact Mass305.26
IUPAC Name1-cyclohexyl-2-(1-cyclopentyltetrazol-5-yl)-3-methylbutan-1-amine
SMILESCC(C)C(c1nnnn1C1CCCC1)C(N)C1CCCCC1
InChIInChI=1S/C17H31N5/c1-12(2)15(16(18)13-8-4-3-5-9-13)17-19-20-21-22(17)14-10-6-7-11-14/h12-16H,3-11,18H2,1-2H3
InChIKeyATVCRWVAUBYYNT-UHFFFAOYSA-N
XLogP3.44
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(1-cyclopentyltetrazol-5-yl)-3-methylbutan-1-amine?
The IUPAC name of 1-cyclohexyl-2-(1-cyclopentyltetrazol-5-yl)-3-methylbutan-1-amine (CID 22298722) is 1-cyclohexyl-2-(1-cyclopentyltetrazol-5-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 1-cyclohexyl-2-(1-cyclopentyltetrazol-5-yl)-3-methylbutan-1-amine?
The canonical SMILES for 1-cyclohexyl-2-(1-cyclopentyltetrazol-5-yl)-3-methylbutan-1-amine is CC(C)C(c1nnnn1C1CCCC1)C(N)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(1-cyclopentyltetrazol-5-yl)-3-methylbutan-1-amine?
The InChIKey is ATVCRWVAUBYYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5/c1-12(2)15(16(18)13-8-4-3-5-9-13)17-19-20-21-22(17)14-10-6-7-11-14/h12-16H,3-11,18H2,1-2H3.
What are the key properties of 1-cyclohexyl-2-(1-cyclopentyltetrazol-5-yl)-3-methylbutan-1-amine?
1-cyclohexyl-2-(1-cyclopentyltetrazol-5-yl)-3-methylbutan-1-amine has a molecular weight of 305.47 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(1-cyclopentyltetrazol-5-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 22298722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).