N-(6-methylheptan-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide

C16H29N5O — CID 51049374

IUPACN-(6-methylheptan-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
SMILESCC(C)CCCC(C)NC(=O)C1(n2cnnn2)CCCCC1
InChIInChI=1S/C16H29N5O/c1-13(2)8-7-9-14(3)18-15(22)16(10-5-4-6-11-16)21-12-17-19-20-21/h12-14H,4-11H2,1-3H3,(H,18,22)
InChIKeyZXJCRQNIAHUJLI-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.66
Rot. Bonds7

About N-(6-methylheptan-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide

N-(6-methylheptan-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide (PubChem CID 51049374) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is N-(6-methylheptan-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(6-methylheptan-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
PubChem CID51049374
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC NameN-(6-methylheptan-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
SMILESCC(C)CCCC(C)NC(=O)C1(n2cnnn2)CCCCC1
InChIInChI=1S/C16H29N5O/c1-13(2)8-7-9-14(3)18-15(22)16(10-5-4-6-11-16)21-12-17-19-20-21/h12-14H,4-11H2,1-3H3,(H,18,22)
InChIKeyZXJCRQNIAHUJLI-UHFFFAOYSA-N
XLogP2.66
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-methylheptan-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-methylheptan-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-(6-methylheptan-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide (CID 51049374) is N-(6-methylheptan-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(6-methylheptan-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(6-methylheptan-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide is CC(C)CCCC(C)NC(=O)C1(n2cnnn2)CCCCC1.
What is the InChIKey of N-(6-methylheptan-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The InChIKey is ZXJCRQNIAHUJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O/c1-13(2)8-7-9-14(3)18-15(22)16(10-5-4-6-11-16)21-12-17-19-20-21/h12-14H,4-11H2,1-3H3,(H,18,22).
What are the key properties of N-(6-methylheptan-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
N-(6-methylheptan-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylheptan-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 51049374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).