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

C12H26N2 — CID 117029205

IUPAC4-N-tert-butyl-1-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)C(C)(C)C)CC1
InChIInChI=1S/C12H26N2/c1-12(2,3)14(5)11-8-6-10(13-4)7-9-11/h10-11,13H,6-9H2,1-5H3
InChIKeyJCHNFKNQSUEJGP-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.25
Rot. Bonds2

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

4-N-tert-butyl-1-N,4-N-dimethylcyclohexane-1,4-diamine (PubChem CID 117029205) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 4-N-tert-butyl-1-N,4-N-dimethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-1-N,4-N-dimethylcyclohexane-1,4-diamine
PubChem CID117029205
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name4-N-tert-butyl-1-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)C(C)(C)C)CC1
InChIInChI=1S/C12H26N2/c1-12(2,3)14(5)11-8-6-10(13-4)7-9-11/h10-11,13H,6-9H2,1-5H3
InChIKeyJCHNFKNQSUEJGP-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(3,3-dimethylbutyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79122136
N-tert-butyl-4-ethoxy-N-methylcyclohexan-1-amine
CID 134415201
4-N-cyclooctyl-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79122769
3-[tert-butyl(methyl)amino]cyclopentan-1-ol
CID 131071048
N,3,3-trimethyl-N-[4-(methylamino)cyclohexyl]butanamide
CID 79122316
tert-butyl N-methyl-N-[4-(methylamino)cyclohexyl]carbamate;hydrochloride
CID 18397394
1-N,4-N-dimethyl-4-N-(3-methylbut-2-enyl)cyclohexane-1,4-diamine
CID 79110999
1-methyl-1-[4-(methylamino)cyclohexyl]urea
CID 79123173
N-tert-butyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]propanamide
CID 79122141
1-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 79122134
4-N-but-2-ynyl-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79111232
1-N,4-N-dimethyl-4-N-pentan-2-ylcyclohexane-1,4-diamine
CID 79111269

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-tert-butyl-1-N,4-N-dimethylcyclohexane-1,4-diamine (CID 117029205) is 4-N-tert-butyl-1-N,4-N-dimethylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-tert-butyl-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-tert-butyl-1-N,4-N-dimethylcyclohexane-1,4-diamine is CNC1CCC(N(C)C(C)(C)C)CC1.
What is the InChIKey of 4-N-tert-butyl-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The InChIKey is JCHNFKNQSUEJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-12(2,3)14(5)11-8-6-10(13-4)7-9-11/h10-11,13H,6-9H2,1-5H3.
What are the key properties of 4-N-tert-butyl-1-N,4-N-dimethylcyclohexane-1,4-diamine?
4-N-tert-butyl-1-N,4-N-dimethylcyclohexane-1,4-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-1-N,4-N-dimethylcyclohexane-1,4-diamine is sourced from PubChem (CID 117029205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).