3,4-dimethyl-1-propan-2-ylcyclohexan-1-amine

C11H23N — CID 64733574

IUPAC3,4-dimethyl-1-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(N)(C(C)C)CC1C
InChIInChI=1S/C11H23N/c1-8(2)11(12)6-5-9(3)10(4)7-11/h8-10H,5-7,12H2,1-4H3
InChIKeyMJUKSCFFFICFNO-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.80
Rot. Bonds1

About 3,4-dimethyl-1-propan-2-ylcyclohexan-1-amine

3,4-dimethyl-1-propan-2-ylcyclohexan-1-amine (PubChem CID 64733574) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 3,4-dimethyl-1-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name3,4-dimethyl-1-propan-2-ylcyclohexan-1-amine
PubChem CID64733574
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name3,4-dimethyl-1-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(N)(C(C)C)CC1C
InChIInChI=1S/C11H23N/c1-8(2)11(12)6-5-9(3)10(4)7-11/h8-10H,5-7,12H2,1-4H3
InChIKeyMJUKSCFFFICFNO-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,4-dimethyl-1-propan-2-ylcyclohexan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

3,4-dimethyl-1-pentan-2-ylcyclohexan-1-amine
CID 107892409
(1S,3S,4R)-1,3,4-trimethylcyclohexan-1-amine
CID 124508954
ethane;1,3,4-trimethyl-1-propan-2-ylcyclohexane
CID 177218946
4-amino-4-propan-2-ylcyclohexan-1-ol
CID 99985687
1-ethyl-3,4-dimethyl-1-propan-2-ylcyclohexane
CID 91374055
3-cyclopropyl-1-propan-2-ylcyclohexan-1-amine
CID 64595245
1,4-di(propan-2-yl)cycloheptan-1-amine
CID 65086898
1-amino-3,4-dimethylcyclohexane-1-carbonitrile
CID 64745262
(1R,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexane
CID 11983968
1-hexan-2-yl-3,4-dimethyl-1-propan-2-ylcyclohexane
CID 123569728
tert-butyl (1R,3R,4R)-1-amino-3,4-dimethylcyclohexane-1-carboxylate
CID 125426362
2-methyl-1-propan-2-ylcyclobutan-1-amine
CID 57373673

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 3,4-dimethyl-1-propan-2-ylcyclohexan-1-amine (CID 64733574) is 3,4-dimethyl-1-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 3,4-dimethyl-1-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 3,4-dimethyl-1-propan-2-ylcyclohexan-1-amine is CC1CCC(N)(C(C)C)CC1C.
What is the InChIKey of 3,4-dimethyl-1-propan-2-ylcyclohexan-1-amine?
The InChIKey is MJUKSCFFFICFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-8(2)11(12)6-5-9(3)10(4)7-11/h8-10H,5-7,12H2,1-4H3.
What are the key properties of 3,4-dimethyl-1-propan-2-ylcyclohexan-1-amine?
3,4-dimethyl-1-propan-2-ylcyclohexan-1-amine has a molecular weight of 169.31 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 64733574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).