(2,2-dimethylcyclohexyl)-(3,5-dimethylcyclohexyl)methanamine

C17H33N — CID 107189180

IUPAC(2,2-dimethylcyclohexyl)-(3,5-dimethylcyclohexyl)methanamine
SMILESCC1CC(C)CC(C(N)C2CCCCC2(C)C)C1
InChIInChI=1S/C17H33N/c1-12-9-13(2)11-14(10-12)16(18)15-7-5-6-8-17(15,3)4/h12-16H,5-11,18H2,1-4H3
InChIKeyIMAOTXQZUHLZME-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.60
Rot. Bonds2

About (2,2-dimethylcyclohexyl)-(3,5-dimethylcyclohexyl)methanamine

(2,2-dimethylcyclohexyl)-(3,5-dimethylcyclohexyl)methanamine (PubChem CID 107189180) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is (2,2-dimethylcyclohexyl)-(3,5-dimethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2,2-dimethylcyclohexyl)-(3,5-dimethylcyclohexyl)methanamine
PubChem CID107189180
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name(2,2-dimethylcyclohexyl)-(3,5-dimethylcyclohexyl)methanamine
SMILESCC1CC(C)CC(C(N)C2CCCCC2(C)C)C1
InChIInChI=1S/C17H33N/c1-12-9-13(2)11-14(10-12)16(18)15-7-5-6-8-17(15,3)4/h12-16H,5-11,18H2,1-4H3
InChIKeyIMAOTXQZUHLZME-UHFFFAOYSA-N
XLogP4.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopropyl-(2,2-dimethylcyclopentyl)methanamine
CID 107189375
(3,5-dimethylcyclohexyl)-(2,2-dimethylcyclopentyl)methanol
CID 107192398
(2,2-dimethylcyclopentyl)-(oxolan-3-yl)methanamine
CID 107188775
N-[(3,5-dimethylcyclohexyl)-(2,2-dimethylcyclopentyl)methyl]propan-1-amine
CID 107189191
(4,4-difluorocyclohexyl)-(3,5-dimethylcyclohexyl)methanamine
CID 105154323
3-cyclopropyl-1-(2,2-dimethylcyclohexyl)propan-1-amine
CID 107189392
3-cyclopentyl-1-(2,2-dimethylcyclohexyl)propan-1-amine
CID 114193227
(3,5-dimethylcyclohexyl)-(1-methoxycyclopentyl)methanamine
CID 104610627
(4-tert-butylcyclohexyl)-(3,5-dimethylcyclohexyl)methanamine
CID 65402362
1,1-dimethyl-2-propan-2-ylcyclopentane
CID 23384810
[2-cyclobutyl-1-(2,2-dimethylcyclohexyl)ethyl]hydrazine
CID 107194022
(3,5-dimethylcyclohexyl)-(thiolan-2-yl)methanamine
CID 80621651

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclohexyl)-(3,5-dimethylcyclohexyl)methanamine?
The IUPAC name of (2,2-dimethylcyclohexyl)-(3,5-dimethylcyclohexyl)methanamine (CID 107189180) is (2,2-dimethylcyclohexyl)-(3,5-dimethylcyclohexyl)methanamine.
What is the SMILES notation for (2,2-dimethylcyclohexyl)-(3,5-dimethylcyclohexyl)methanamine?
The canonical SMILES for (2,2-dimethylcyclohexyl)-(3,5-dimethylcyclohexyl)methanamine is CC1CC(C)CC(C(N)C2CCCCC2(C)C)C1.
What is the InChIKey of (2,2-dimethylcyclohexyl)-(3,5-dimethylcyclohexyl)methanamine?
The InChIKey is IMAOTXQZUHLZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-12-9-13(2)11-14(10-12)16(18)15-7-5-6-8-17(15,3)4/h12-16H,5-11,18H2,1-4H3.
What are the key properties of (2,2-dimethylcyclohexyl)-(3,5-dimethylcyclohexyl)methanamine?
(2,2-dimethylcyclohexyl)-(3,5-dimethylcyclohexyl)methanamine has a molecular weight of 251.46 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclohexyl)-(3,5-dimethylcyclohexyl)methanamine is sourced from PubChem (CID 107189180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).