4-N-tert-butyl-1-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine

C16H27N3 — CID 155222928

IUPAC4-N-tert-butyl-1-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine
SMILESCc1ccc(NC2CCC(NC(C)(C)C)CC2)nc1
InChIInChI=1S/C16H27N3/c1-12-5-10-15(17-11-12)18-13-6-8-14(9-7-13)19-16(2,3)4/h5,10-11,13-14,19H,6-9H2,1-4H3,(H,17,18)
InChIKeyNTYLJHFHCMDELO-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.50
Rot. Bonds3

About 4-N-tert-butyl-1-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine

4-N-tert-butyl-1-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine (PubChem CID 155222928) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-N-tert-butyl-1-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-1-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine
PubChem CID155222928
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name4-N-tert-butyl-1-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine
SMILESCc1ccc(NC2CCC(NC(C)(C)C)CC2)nc1
InChIInChI=1S/C16H27N3/c1-12-5-10-15(17-11-12)18-13-6-8-14(9-7-13)19-16(2,3)4/h5,10-11,13-14,19H,6-9H2,1-4H3,(H,17,18)
InChIKeyNTYLJHFHCMDELO-UHFFFAOYSA-N
XLogP3.50
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-N-tert-butyl-1-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine 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 4-N-tert-butyl-1-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-tert-butyl-1-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine (CID 155222928) is 4-N-tert-butyl-1-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-tert-butyl-1-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-tert-butyl-1-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine is Cc1ccc(NC2CCC(NC(C)(C)C)CC2)nc1.
What is the InChIKey of 4-N-tert-butyl-1-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine?
The InChIKey is NTYLJHFHCMDELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-12-5-10-15(17-11-12)18-13-6-8-14(9-7-13)19-16(2,3)4/h5,10-11,13-14,19H,6-9H2,1-4H3,(H,17,18).
What are the key properties of 4-N-tert-butyl-1-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine?
4-N-tert-butyl-1-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine has a molecular weight of 261.41 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-1-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 155222928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).