1-cyclobutyl-N-[(1-methylcyclobutyl)methyl]propan-2-amine

C13H25N — CID 115892752

IUPAC1-cyclobutyl-N-[(1-methylcyclobutyl)methyl]propan-2-amine
SMILESCC(CC1CCC1)NCC1(C)CCC1
InChIInChI=1S/C13H25N/c1-11(9-12-5-3-6-12)14-10-13(2)7-4-8-13/h11-12,14H,3-10H2,1-2H3
InChIKeyOVSGFILBJCTCJW-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.34
Rot. Bonds5

About 1-cyclobutyl-N-[(1-methylcyclobutyl)methyl]propan-2-amine

1-cyclobutyl-N-[(1-methylcyclobutyl)methyl]propan-2-amine (PubChem CID 115892752) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 1-cyclobutyl-N-[(1-methylcyclobutyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-N-[(1-methylcyclobutyl)methyl]propan-2-amine
PubChem CID115892752
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name1-cyclobutyl-N-[(1-methylcyclobutyl)methyl]propan-2-amine
SMILESCC(CC1CCC1)NCC1(C)CCC1
InChIInChI=1S/C13H25N/c1-11(9-12-5-3-6-12)14-10-13(2)7-4-8-13/h11-12,14H,3-10H2,1-2H3
InChIKeyOVSGFILBJCTCJW-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

2-[1-[(1-cyclobutylpropan-2-ylamino)methyl]cyclobutyl]ethanol
CID 115894748
1-[(1-cyclobutylpropan-2-ylamino)methyl]-4-methylcyclohexan-1-ol
CID 113489875
1-cyclobutyl-N-[(2,2-dimethylcyclopropyl)methyl]propan-2-amine
CID 103902079
1-cyclohexyl-N-[(1-methylcyclobutyl)methyl]ethanamine;hydrochloride
CID 115683928
N-[(1-methylcyclohexyl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 114094809
N-[(1-methylcyclobutyl)methyl]hexan-2-amine
CID 103903182
1,1-dicyclopropyl-N-[(1-methylcyclohexyl)methyl]methanamine
CID 103903505
2-N-[(1-methylcyclohexyl)methyl]propane-1,2-diamine
CID 106827234
N-(1-cyclobutylpropan-2-yl)but-2-yn-1-amine
CID 115896850
1-cyclobutyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propan-2-amine
CID 104628570
CID 163832582
CID 163832582
3,3-dimethyl-N-[(1-methylcyclobutyl)methyl]butan-2-amine
CID 115892765

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[(1-methylcyclobutyl)methyl]propan-2-amine?
The IUPAC name of 1-cyclobutyl-N-[(1-methylcyclobutyl)methyl]propan-2-amine (CID 115892752) is 1-cyclobutyl-N-[(1-methylcyclobutyl)methyl]propan-2-amine.
What is the SMILES notation for 1-cyclobutyl-N-[(1-methylcyclobutyl)methyl]propan-2-amine?
The canonical SMILES for 1-cyclobutyl-N-[(1-methylcyclobutyl)methyl]propan-2-amine is CC(CC1CCC1)NCC1(C)CCC1.
What is the InChIKey of 1-cyclobutyl-N-[(1-methylcyclobutyl)methyl]propan-2-amine?
The InChIKey is OVSGFILBJCTCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-11(9-12-5-3-6-12)14-10-13(2)7-4-8-13/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 1-cyclobutyl-N-[(1-methylcyclobutyl)methyl]propan-2-amine?
1-cyclobutyl-N-[(1-methylcyclobutyl)methyl]propan-2-amine has a molecular weight of 195.35 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[(1-methylcyclobutyl)methyl]propan-2-amine is sourced from PubChem (CID 115892752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).