1-methyl-N-[(4-methylcyclohexyl)methyl]cyclobutan-1-amine

C13H25N — CID 115868570

IUPAC1-methyl-N-[(4-methylcyclohexyl)methyl]cyclobutan-1-amine
SMILESCC1CCC(CNC2(C)CCC2)CC1
InChIInChI=1S/C13H25N/c1-11-4-6-12(7-5-11)10-14-13(2)8-3-9-13/h11-12,14H,3-10H2,1-2H3
InChIKeySCRBMCAAYOFEDT-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.34
Rot. Bonds3

About 1-methyl-N-[(4-methylcyclohexyl)methyl]cyclobutan-1-amine

1-methyl-N-[(4-methylcyclohexyl)methyl]cyclobutan-1-amine (PubChem CID 115868570) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 1-methyl-N-[(4-methylcyclohexyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-methyl-N-[(4-methylcyclohexyl)methyl]cyclobutan-1-amine
PubChem CID115868570
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name1-methyl-N-[(4-methylcyclohexyl)methyl]cyclobutan-1-amine
SMILESCC1CCC(CNC2(C)CCC2)CC1
InChIInChI=1S/C13H25N/c1-11-4-6-12(7-5-11)10-14-13(2)8-3-9-13/h11-12,14H,3-10H2,1-2H3
InChIKeySCRBMCAAYOFEDT-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclopropylmethyl)-1-(4-methylcyclohexyl)methanamine
CID 63001385
6-bromo-N-(cyclododecylmethyl)-1,6-dimethylcycloundecan-1-amine
CID 70802853
N-(cyclopropylmethyl)-3-methyloxan-3-amine
CID 103897448
N-[(3-aminocyclobutyl)methyl]-1-methylcyclohexan-1-amine
CID 164652550
4-methyl-N-(oxan-4-ylmethyl)oxan-4-amine
CID 115758099
N-chloro-1-(4-methylcyclohexyl)methanamine;methane
CID 158318489
1-methyl-N-(oxan-3-ylmethyl)cyclopentan-1-amine
CID 63739507
1,4-dimethyl-N-propylcyclohexan-1-amine
CID 130638305
N-(cyclopropylmethyl)-1-methylcyclohex-3-en-1-amine
CID 130871052
(1R,4S)-1,3,3-trimethyl-N-[(4-methylcyclohexyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 115400799
1-methyl-N-[(2-methyloxan-4-yl)methyl]cyclopropan-1-amine
CID 126991122
2-(cyclopropylmethoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 115868513

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-methylcyclohexyl)methyl]cyclobutan-1-amine?
The IUPAC name of 1-methyl-N-[(4-methylcyclohexyl)methyl]cyclobutan-1-amine (CID 115868570) is 1-methyl-N-[(4-methylcyclohexyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-methyl-N-[(4-methylcyclohexyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 1-methyl-N-[(4-methylcyclohexyl)methyl]cyclobutan-1-amine is CC1CCC(CNC2(C)CCC2)CC1.
What is the InChIKey of 1-methyl-N-[(4-methylcyclohexyl)methyl]cyclobutan-1-amine?
The InChIKey is SCRBMCAAYOFEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-11-4-6-12(7-5-11)10-14-13(2)8-3-9-13/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 1-methyl-N-[(4-methylcyclohexyl)methyl]cyclobutan-1-amine?
1-methyl-N-[(4-methylcyclohexyl)methyl]cyclobutan-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-methylcyclohexyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 115868570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).