4-(2-aminopropan-2-yl)-1-methylcyclohexan-1-amine

C10H22N2 — CID 6650

IUPAC4-(2-aminopropan-2-yl)-1-methylcyclohexan-1-amine
SMILESCC1(N)CCC(C(C)(C)N)CC1
InChIInChI=1S/C10H22N2/c1-9(2,11)8-4-6-10(3,12)7-5-8/h8H,4-7,11-12H2,1-3H3
InChIKeyKOGSPLLRMRSADR-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.63
Rot. Bonds1

About 4-(2-aminopropan-2-yl)-1-methylcyclohexan-1-amine

4-(2-aminopropan-2-yl)-1-methylcyclohexan-1-amine (PubChem CID 6650) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 4-(2-aminopropan-2-yl)-1-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-aminopropan-2-yl)-1-methylcyclohexan-1-amine
PubChem CID6650
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name4-(2-aminopropan-2-yl)-1-methylcyclohexan-1-amine
SMILESCC1(N)CCC(C(C)(C)N)CC1
InChIInChI=1S/C10H22N2/c1-9(2,11)8-4-6-10(3,12)7-5-8/h8H,4-7,11-12H2,1-3H3
InChIKeyKOGSPLLRMRSADR-UHFFFAOYSA-N
XLogP1.63
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

alpha,alpha-Dimethylcyclohexaneethanamine
CID 200032
2-Cyclohexylpropan-2-amine hydrochloride
CID 47002866
1,4-Dimethylcyclohexan-1-amine hydrochloride
CID 47002913
(2S)-6-methyl-2-(4-methylcyclohexyl)heptan-2-amine
CID 134132065
1,8-Diisocyano-p-menthane
CID 54146552
4-(Aminomethyl)-1-methylcyclohexan-1-amine
CID 11116168
2-Cyclohexylpropan-2-amine
CID 22376970
1,4-Dimethylcyclohexan-1-amine
CID 43809378
4-Propan-2-yl-1-(trifluoromethyl)cyclohexan-1-amine
CID 63897525
4-Ethyl-1-(trifluoromethyl)cyclohexan-1-amine
CID 63898478
4-(2-Fluoroethyl)-1-methylcyclohexan-1-amine
CID 143177831
(1R)-3-fluoro-1,2,4-trimethylcyclohexan-1-amine
CID 166689129

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropan-2-yl)-1-methylcyclohexan-1-amine?
The IUPAC name of 4-(2-aminopropan-2-yl)-1-methylcyclohexan-1-amine (CID 6650) is 4-(2-aminopropan-2-yl)-1-methylcyclohexan-1-amine.
What is the SMILES notation for 4-(2-aminopropan-2-yl)-1-methylcyclohexan-1-amine?
The canonical SMILES for 4-(2-aminopropan-2-yl)-1-methylcyclohexan-1-amine is CC1(N)CCC(C(C)(C)N)CC1.
What is the InChIKey of 4-(2-aminopropan-2-yl)-1-methylcyclohexan-1-amine?
The InChIKey is KOGSPLLRMRSADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-9(2,11)8-4-6-10(3,12)7-5-8/h8H,4-7,11-12H2,1-3H3.
What are the key properties of 4-(2-aminopropan-2-yl)-1-methylcyclohexan-1-amine?
4-(2-aminopropan-2-yl)-1-methylcyclohexan-1-amine has a molecular weight of 170.30 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropan-2-yl)-1-methylcyclohexan-1-amine is sourced from PubChem (CID 6650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).