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

C13H25N — CID 103902079

IUPAC1-cyclobutyl-N-[(2,2-dimethylcyclopropyl)methyl]propan-2-amine
SMILESCC(CC1CCC1)NCC1CC1(C)C
InChIInChI=1S/C13H25N/c1-10(7-11-5-4-6-11)14-9-12-8-13(12,2)3/h10-12,14H,4-9H2,1-3H3
InChIKeyZPOARUQEESVZPT-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.20
Rot. Bonds5

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

1-cyclobutyl-N-[(2,2-dimethylcyclopropyl)methyl]propan-2-amine (PubChem CID 103902079) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 1-cyclobutyl-N-[(2,2-dimethylcyclopropyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-N-[(2,2-dimethylcyclopropyl)methyl]propan-2-amine
PubChem CID103902079
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name1-cyclobutyl-N-[(2,2-dimethylcyclopropyl)methyl]propan-2-amine
SMILESCC(CC1CCC1)NCC1CC1(C)C
InChIInChI=1S/C13H25N/c1-10(7-11-5-4-6-11)14-9-12-8-13(12,2)3/h10-12,14H,4-9H2,1-3H3
InChIKeyZPOARUQEESVZPT-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-N-[(1-methylcyclobutyl)methyl]propan-2-amine
CID 115892752
1-cyclobutyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-2-amine
CID 115712523
1-cyclobutyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine
CID 115717537
1-cyclobutyl-N-(oxan-3-ylmethyl)propan-2-amine
CID 115710920
N-[(2,2-dimethylcyclopropyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 103902104
N-(1-cyclobutylpropan-2-yl)but-2-yn-1-amine
CID 115896850
1-cyclobutyl-N-[(1-ethylpiperidin-4-yl)methyl]propan-2-amine
CID 115717000
1-cyclobutyl-N-(cyclohex-3-en-1-ylmethyl)propan-2-amine
CID 115713345
1-cyclopentyl-N-(thian-4-ylmethyl)propan-2-amine
CID 115755933
1-cyclobutyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propan-2-amine
CID 104628570
N-(1-cyclobutylpropan-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 115705382
CID 163832582
CID 163832582

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[(2,2-dimethylcyclopropyl)methyl]propan-2-amine?
The IUPAC name of 1-cyclobutyl-N-[(2,2-dimethylcyclopropyl)methyl]propan-2-amine (CID 103902079) is 1-cyclobutyl-N-[(2,2-dimethylcyclopropyl)methyl]propan-2-amine.
What is the SMILES notation for 1-cyclobutyl-N-[(2,2-dimethylcyclopropyl)methyl]propan-2-amine?
The canonical SMILES for 1-cyclobutyl-N-[(2,2-dimethylcyclopropyl)methyl]propan-2-amine is CC(CC1CCC1)NCC1CC1(C)C.
What is the InChIKey of 1-cyclobutyl-N-[(2,2-dimethylcyclopropyl)methyl]propan-2-amine?
The InChIKey is ZPOARUQEESVZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-10(7-11-5-4-6-11)14-9-12-8-13(12,2)3/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 1-cyclobutyl-N-[(2,2-dimethylcyclopropyl)methyl]propan-2-amine?
1-cyclobutyl-N-[(2,2-dimethylcyclopropyl)methyl]propan-2-amine has a molecular weight of 195.35 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[(2,2-dimethylcyclopropyl)methyl]propan-2-amine is sourced from PubChem (CID 103902079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).