3-methyl-2-(2-methylcyclopropyl)butan-1-amine

C9H19N — CID 123264765

IUPAC3-methyl-2-(2-methylcyclopropyl)butan-1-amine
SMILESCC(C)C(CN)C1CC1C
InChIInChI=1S/C9H19N/c1-6(2)9(5-10)8-4-7(8)3/h6-9H,4-5,10H2,1-3H3
InChIKeyGCXQXKXGMFZYJM-UHFFFAOYSA-N
MW141.26 g/mol
LogP1.87
Rot. Bonds3

About 3-methyl-2-(2-methylcyclopropyl)butan-1-amine

3-methyl-2-(2-methylcyclopropyl)butan-1-amine (PubChem CID 123264765) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 3-methyl-2-(2-methylcyclopropyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-(2-methylcyclopropyl)butan-1-amine
PubChem CID123264765
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name3-methyl-2-(2-methylcyclopropyl)butan-1-amine
SMILESCC(C)C(CN)C1CC1C
InChIInChI=1S/C9H19N/c1-6(2)9(5-10)8-4-7(8)3/h6-9H,4-5,10H2,1-3H3
InChIKeyGCXQXKXGMFZYJM-UHFFFAOYSA-N
XLogP1.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-methyl-2-(2-methylcyclopropyl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-3-methyl-2-[(1S,6R)-6-methylcyclohex-3-en-1-yl]butan-1-amine
CID 163545589
1,4-dimethyl-2-(2-methylpentan-3-yl)cyclopentane
CID 91069892
1-methyl-2-(2-methyloctan-3-yl)cyclopropane
CID 123773820
3-(2-methylcyclopropyl)butan-1-amine
CID 90983194
(2S)-2-cyclohexyl-3-methylbutan-1-amine
CID 96739435
2,3-dimethyl-1-(2-methylcyclopropyl)butan-1-amine
CID 129215264
1-(2,5-dimethylheptan-3-yl)-2,3-dimethylcyclobutane
CID 123429129
3-methyl-2-piperidin-4-ylbutan-1-amine
CID 82598281
ethane;1-methyl-2-propan-2-ylcyclopropane
CID 143332059
azane;1-methyl-2-propan-2-ylcyclopropane
CID 21258764
(1R,3R,4R)-3-methyl-4-propan-2-ylcyclohexan-1-amine
CID 153443781
2-(2-methylcyclopropyl)propane-1-thiol
CID 123988306

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-methylcyclopropyl)butan-1-amine?
The IUPAC name of 3-methyl-2-(2-methylcyclopropyl)butan-1-amine (CID 123264765) is 3-methyl-2-(2-methylcyclopropyl)butan-1-amine.
What is the SMILES notation for 3-methyl-2-(2-methylcyclopropyl)butan-1-amine?
The canonical SMILES for 3-methyl-2-(2-methylcyclopropyl)butan-1-amine is CC(C)C(CN)C1CC1C.
What is the InChIKey of 3-methyl-2-(2-methylcyclopropyl)butan-1-amine?
The InChIKey is GCXQXKXGMFZYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-6(2)9(5-10)8-4-7(8)3/h6-9H,4-5,10H2,1-3H3.
What are the key properties of 3-methyl-2-(2-methylcyclopropyl)butan-1-amine?
3-methyl-2-(2-methylcyclopropyl)butan-1-amine has a molecular weight of 141.26 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-methylcyclopropyl)butan-1-amine is sourced from PubChem (CID 123264765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).