4-N-tert-butyl-1-N-cyclohexylcyclohexane-1,4-diamine

C16H32N2 — CID 58707395

IUPAC4-N-tert-butyl-1-N-cyclohexylcyclohexane-1,4-diamine
SMILESCC(C)(C)NC1CCC(NC2CCCCC2)CC1
InChIInChI=1S/C16H32N2/c1-16(2,3)18-15-11-9-14(10-12-15)17-13-7-5-4-6-8-13/h13-15,17-18H,4-12H2,1-3H3
InChIKeyZHFMWEBBMZMKEL-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.61
Rot. Bonds3

About 4-N-tert-butyl-1-N-cyclohexylcyclohexane-1,4-diamine

4-N-tert-butyl-1-N-cyclohexylcyclohexane-1,4-diamine (PubChem CID 58707395) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 4-N-tert-butyl-1-N-cyclohexylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-1-N-cyclohexylcyclohexane-1,4-diamine
PubChem CID58707395
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name4-N-tert-butyl-1-N-cyclohexylcyclohexane-1,4-diamine
SMILESCC(C)(C)NC1CCC(NC2CCCCC2)CC1
InChIInChI=1S/C16H32N2/c1-16(2,3)18-15-11-9-14(10-12-15)17-13-7-5-4-6-8-13/h13-15,17-18H,4-12H2,1-3H3
InChIKeyZHFMWEBBMZMKEL-UHFFFAOYSA-N
XLogP3.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butylcyclobutanamine;N-tert-butylcyclohexanamine;N-tert-butylcyclopentanamine;N-tert-butylcyclopropanamine
CID 158164936
1-N,4-N-ditert-butylcyclohexane-1,4-diamine
CID 59732223
N-tert-butylcyclopropanamine;hydrochloride
CID 55284152
N-cyclopropylcyclododecanamine
CID 16776852
N-cyclohexylcyclohexanamine;ethane
CID 67925930
N-tert-butyl-4-[2-(cyclohexylamino)-2-methylpropyl]cycloheptan-1-amine
CID 130444257
4-N-tert-butyl-1-N-propan-2-ylcyclohexane-1,4-diamine
CID 58707400
N-(2-fluoropropan-2-yl)cyclohexanamine
CID 145320025
4-tert-butyl-N-cyclopentylcycloheptan-1-amine
CID 65090444
N,4-dicyclohexylcyclohexan-1-amine
CID 70368908
1-tert-butyl-N-cyclooctylpiperidin-4-amine
CID 54866557
N-cyclopentyl-4-methylcyclohexan-1-amine;hydrobromide
CID 75531499

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-1-N-cyclohexylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-tert-butyl-1-N-cyclohexylcyclohexane-1,4-diamine (CID 58707395) is 4-N-tert-butyl-1-N-cyclohexylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-tert-butyl-1-N-cyclohexylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-tert-butyl-1-N-cyclohexylcyclohexane-1,4-diamine is CC(C)(C)NC1CCC(NC2CCCCC2)CC1.
What is the InChIKey of 4-N-tert-butyl-1-N-cyclohexylcyclohexane-1,4-diamine?
The InChIKey is ZHFMWEBBMZMKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-16(2,3)18-15-11-9-14(10-12-15)17-13-7-5-4-6-8-13/h13-15,17-18H,4-12H2,1-3H3.
What are the key properties of 4-N-tert-butyl-1-N-cyclohexylcyclohexane-1,4-diamine?
4-N-tert-butyl-1-N-cyclohexylcyclohexane-1,4-diamine has a molecular weight of 252.45 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-1-N-cyclohexylcyclohexane-1,4-diamine is sourced from PubChem (CID 58707395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).