N-(2,2-dimethylpropyl)-3,3-dimethylcyclohexan-1-amine;ethane

C15H33N — CID 143483556

IUPACN-(2,2-dimethylpropyl)-3,3-dimethylcyclohexan-1-amine;ethane
SMILESCC.CC(C)(C)CNC1CCCC(C)(C)C1
InChIInChI=1S/C13H27N.C2H6/c1-12(2,3)10-14-11-7-6-8-13(4,5)9-11;1-2/h11,14H,6-10H2,1-5H3;1-2H3
InChIKeyPBQWOJKIVKZFBF-UHFFFAOYSA-N
MW227.44 g/mol
LogP4.62
Rot. Bonds2

About N-(2,2-dimethylpropyl)-3,3-dimethylcyclohexan-1-amine;ethane

N-(2,2-dimethylpropyl)-3,3-dimethylcyclohexan-1-amine;ethane (PubChem CID 143483556) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-3,3-dimethylcyclohexan-1-amine;ethane.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-3,3-dimethylcyclohexan-1-amine;ethane
PubChem CID143483556
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC NameN-(2,2-dimethylpropyl)-3,3-dimethylcyclohexan-1-amine;ethane
SMILESCC.CC(C)(C)CNC1CCCC(C)(C)C1
InChIInChI=1S/C13H27N.C2H6/c1-12(2,3)10-14-11-7-6-8-13(4,5)9-11;1-2/h11,14H,6-10H2,1-5H3;1-2H3
InChIKeyPBQWOJKIVKZFBF-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,2-dimethylpropyl)-4,4-dimethylcyclohexan-1-amine
CID 58172158
(1S)-N-(cyclopropylmethyl)-3,3-dimethylcyclohexan-1-amine
CID 95371246
3,3-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine
CID 79353545
N-(2,2-dimethylpropyl)cyclododecanamine
CID 63452276
N-(2-ethylsulfonylethyl)-3,3-dimethylcyclohexan-1-amine
CID 81422987
(2R)-1-[(3,3-dimethylcyclohexyl)amino]propan-2-ol
CID 103884227
3,3-dimethyl-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine
CID 114115978
N-(3,3-dimethylcyclohexyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 112682231
3-[(3,3-dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol
CID 81422253
N'-(3,3-dimethylcyclopentyl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 80692444
[1-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexyl]methanol
CID 81435372
3,3-dimethyl-N-[(3-methylcyclopentyl)methyl]cyclohexan-1-amine
CID 107411686

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-3,3-dimethylcyclohexan-1-amine;ethane?
The IUPAC name of N-(2,2-dimethylpropyl)-3,3-dimethylcyclohexan-1-amine;ethane (CID 143483556) is N-(2,2-dimethylpropyl)-3,3-dimethylcyclohexan-1-amine;ethane.
What is the SMILES notation for N-(2,2-dimethylpropyl)-3,3-dimethylcyclohexan-1-amine;ethane?
The canonical SMILES for N-(2,2-dimethylpropyl)-3,3-dimethylcyclohexan-1-amine;ethane is CC.CC(C)(C)CNC1CCCC(C)(C)C1.
What is the InChIKey of N-(2,2-dimethylpropyl)-3,3-dimethylcyclohexan-1-amine;ethane?
The InChIKey is PBQWOJKIVKZFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N.C2H6/c1-12(2,3)10-14-11-7-6-8-13(4,5)9-11;1-2/h11,14H,6-10H2,1-5H3;1-2H3.
What are the key properties of N-(2,2-dimethylpropyl)-3,3-dimethylcyclohexan-1-amine;ethane?
N-(2,2-dimethylpropyl)-3,3-dimethylcyclohexan-1-amine;ethane has a molecular weight of 227.44 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-3,3-dimethylcyclohexan-1-amine;ethane is sourced from PubChem (CID 143483556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).