N-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-N-methylcyclohexanamine

C17H31N5 — CID 648509

IUPACN-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-N-methylcyclohexanamine
SMILESCC(C)C(c1nnnn1C1CCCC1)N(C)C1CCCCC1
InChIInChI=1S/C17H31N5/c1-13(2)16(21(3)14-9-5-4-6-10-14)17-18-19-20-22(17)15-11-7-8-12-15/h13-16H,4-12H2,1-3H3
InChIKeyVZBFECGBKIHSLU-UHFFFAOYSA-N
MW305.47 g/mol
LogP3.75
Rot. Bonds5

About N-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-N-methylcyclohexanamine

N-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-N-methylcyclohexanamine (PubChem CID 648509) has the molecular formula C17H31N5 and a molecular weight of 305.47 g/mol. Its IUPAC name is N-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-N-methylcyclohexanamine.

Molecular Properties

Compound NameN-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-N-methylcyclohexanamine
PubChem CID648509
Molecular FormulaC17H31N5
Molecular Weight305.47 g/mol
Exact Mass305.26
IUPAC NameN-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-N-methylcyclohexanamine
SMILESCC(C)C(c1nnnn1C1CCCC1)N(C)C1CCCCC1
InChIInChI=1S/C17H31N5/c1-13(2)16(21(3)14-9-5-4-6-10-14)17-18-19-20-22(17)15-11-7-8-12-15/h13-16H,4-12H2,1-3H3
InChIKeyVZBFECGBKIHSLU-UHFFFAOYSA-N
XLogP3.75
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-N-methylcyclohexanamine?
The IUPAC name of N-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-N-methylcyclohexanamine (CID 648509) is N-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-N-methylcyclohexanamine.
What is the SMILES notation for N-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-N-methylcyclohexanamine?
The canonical SMILES for N-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-N-methylcyclohexanamine is CC(C)C(c1nnnn1C1CCCC1)N(C)C1CCCCC1.
What is the InChIKey of N-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-N-methylcyclohexanamine?
The InChIKey is VZBFECGBKIHSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5/c1-13(2)16(21(3)14-9-5-4-6-10-14)17-18-19-20-22(17)15-11-7-8-12-15/h13-16H,4-12H2,1-3H3.
What are the key properties of N-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-N-methylcyclohexanamine?
N-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-N-methylcyclohexanamine has a molecular weight of 305.47 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-N-methylcyclohexanamine is sourced from PubChem (CID 648509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).