N-[(2-cyclopropyl-4,4-dimethylcyclohexyl)methyl]propan-2-amine

C15H29N — CID 81031172

IUPACN-[(2-cyclopropyl-4,4-dimethylcyclohexyl)methyl]propan-2-amine
SMILESCC(C)NCC1CCC(C)(C)CC1C1CC1
InChIInChI=1S/C15H29N/c1-11(2)16-10-13-7-8-15(3,4)9-14(13)12-5-6-12/h11-14,16H,5-10H2,1-4H3
InChIKeyMTKFZWRCFMEFCC-UHFFFAOYSA-N
MW223.40 g/mol
LogP3.84
Rot. Bonds4

About N-[(2-cyclopropyl-4,4-dimethylcyclohexyl)methyl]propan-2-amine

N-[(2-cyclopropyl-4,4-dimethylcyclohexyl)methyl]propan-2-amine (PubChem CID 81031172) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-[(2-cyclopropyl-4,4-dimethylcyclohexyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-cyclopropyl-4,4-dimethylcyclohexyl)methyl]propan-2-amine
PubChem CID81031172
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-[(2-cyclopropyl-4,4-dimethylcyclohexyl)methyl]propan-2-amine
SMILESCC(C)NCC1CCC(C)(C)CC1C1CC1
InChIInChI=1S/C15H29N/c1-11(2)16-10-13-7-8-15(3,4)9-14(13)12-5-6-12/h11-14,16H,5-10H2,1-4H3
InChIKeyMTKFZWRCFMEFCC-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,4,4-trimethylcyclohexyl)methyl]propan-2-amine
CID 81030355
1-(2-cycloheptyl-4,4-dimethylcyclohexyl)-N-methylmethanamine
CID 82935731
N-[(2-cyclopentyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine
CID 81030507
N-[(4,4-dimethyl-2-pent-3-ynylcyclohexyl)methyl]propan-2-amine
CID 104813992
N-[[4,4-dimethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-2-amine
CID 116628213
N-[[2-(4-fluoro-2-methylphenyl)-4,4-dimethylcyclohexyl]methyl]propan-2-amine
CID 81022840
1-[2-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 114247026
N-[[4,4-dimethyl-2-[(1-methylimidazol-2-yl)methyl]cyclohexyl]methyl]propan-2-amine
CID 81031100
N-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclobutyl]methyl]propan-2-amine
CID 81018268
N-[[2-(4-tert-butylcyclohexyl)cyclopropyl]methyl]propan-2-amine
CID 104575931
N-[(2-cycloheptyl-4-methylcyclohexyl)methyl]propan-2-amine
CID 82935222
N-[[2-(2-ethylpyrazol-3-yl)-4,4-dimethylcyclohexyl]methyl]propan-2-amine
CID 81031245

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-4,4-dimethylcyclohexyl)methyl]propan-2-amine?
The IUPAC name of N-[(2-cyclopropyl-4,4-dimethylcyclohexyl)methyl]propan-2-amine (CID 81031172) is N-[(2-cyclopropyl-4,4-dimethylcyclohexyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-cyclopropyl-4,4-dimethylcyclohexyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-cyclopropyl-4,4-dimethylcyclohexyl)methyl]propan-2-amine is CC(C)NCC1CCC(C)(C)CC1C1CC1.
What is the InChIKey of N-[(2-cyclopropyl-4,4-dimethylcyclohexyl)methyl]propan-2-amine?
The InChIKey is MTKFZWRCFMEFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-11(2)16-10-13-7-8-15(3,4)9-14(13)12-5-6-12/h11-14,16H,5-10H2,1-4H3.
What are the key properties of N-[(2-cyclopropyl-4,4-dimethylcyclohexyl)methyl]propan-2-amine?
N-[(2-cyclopropyl-4,4-dimethylcyclohexyl)methyl]propan-2-amine has a molecular weight of 223.40 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-4,4-dimethylcyclohexyl)methyl]propan-2-amine is sourced from PubChem (CID 81031172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).