N-[2-methyl-3-(4-methylcyclohexyl)butyl]cyclopropanamine

C15H29N — CID 81015091

IUPACN-[2-methyl-3-(4-methylcyclohexyl)butyl]cyclopropanamine
SMILESCC1CCC(C(C)C(C)CNC2CC2)CC1
InChIInChI=1S/C15H29N/c1-11-4-6-14(7-5-11)13(3)12(2)10-16-15-8-9-15/h11-16H,4-10H2,1-3H3
InChIKeyALKFKVPQBNCJFR-UHFFFAOYSA-N
MW223.40 g/mol
LogP3.84
Rot. Bonds5

About N-[2-methyl-3-(4-methylcyclohexyl)butyl]cyclopropanamine

N-[2-methyl-3-(4-methylcyclohexyl)butyl]cyclopropanamine (PubChem CID 81015091) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-[2-methyl-3-(4-methylcyclohexyl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-methyl-3-(4-methylcyclohexyl)butyl]cyclopropanamine
PubChem CID81015091
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-[2-methyl-3-(4-methylcyclohexyl)butyl]cyclopropanamine
SMILESCC1CCC(C(C)C(C)CNC2CC2)CC1
InChIInChI=1S/C15H29N/c1-11-4-6-14(7-5-11)13(3)12(2)10-16-15-8-9-15/h11-16H,4-10H2,1-3H3
InChIKeyALKFKVPQBNCJFR-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

1-methyl-4-[3-(4-methylcyclohexyl)butan-2-yl]cyclohexane
CID 123821196
N-[(4-methylcyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63462599
N-[(2S)-2,3-dimethylbutyl]cyclopentanamine
CID 59085010
2-N,2-N,3-trimethyl-1-N-(4-methylcyclohexyl)butane-1,2-diamine
CID 43205434
N-(2,3,5-trimethylhexyl)cyclopropanamine
CID 81016378
3-cyclohexyl-N,2-dimethylbutan-1-amine
CID 81015775
2-methyl-3-[(4-methylcycloheptyl)amino]propan-1-ol
CID 65079742
N-(2-cyclopropylpropyl)cyclooctanamine
CID 115592679
4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine
CID 60690321
1,1-difluoro-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 103731557
1,4-dimethylcyclohexane;4-methyl-N-propan-2-ylcyclohexan-1-amine
CID 158687236
4-methyl-N-(2-methyl-3-methylsulfanylpropyl)cycloheptan-1-amine
CID 65079994

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(4-methylcyclohexyl)butyl]cyclopropanamine?
The IUPAC name of N-[2-methyl-3-(4-methylcyclohexyl)butyl]cyclopropanamine (CID 81015091) is N-[2-methyl-3-(4-methylcyclohexyl)butyl]cyclopropanamine.
What is the SMILES notation for N-[2-methyl-3-(4-methylcyclohexyl)butyl]cyclopropanamine?
The canonical SMILES for N-[2-methyl-3-(4-methylcyclohexyl)butyl]cyclopropanamine is CC1CCC(C(C)C(C)CNC2CC2)CC1.
What is the InChIKey of N-[2-methyl-3-(4-methylcyclohexyl)butyl]cyclopropanamine?
The InChIKey is ALKFKVPQBNCJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-11-4-6-14(7-5-11)13(3)12(2)10-16-15-8-9-15/h11-16H,4-10H2,1-3H3.
What are the key properties of N-[2-methyl-3-(4-methylcyclohexyl)butyl]cyclopropanamine?
N-[2-methyl-3-(4-methylcyclohexyl)butyl]cyclopropanamine has a molecular weight of 223.40 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(4-methylcyclohexyl)butyl]cyclopropanamine is sourced from PubChem (CID 81015091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).