4-[methyl-(2-methylcyclopropyl)amino]butan-1-ol

C9H19NO — CID 89249305

IUPAC4-[methyl-(2-methylcyclopropyl)amino]butan-1-ol
SMILESCC1CC1N(C)CCCCO
InChIInChI=1S/C9H19NO/c1-8-7-9(8)10(2)5-3-4-6-11/h8-9,11H,3-7H2,1-2H3
InChIKeyOBXVZFVJSSUVIP-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.10
Rot. Bonds5

About 4-[methyl-(2-methylcyclopropyl)amino]butan-1-ol

4-[methyl-(2-methylcyclopropyl)amino]butan-1-ol (PubChem CID 89249305) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-[methyl-(2-methylcyclopropyl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[methyl-(2-methylcyclopropyl)amino]butan-1-ol
PubChem CID89249305
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-[methyl-(2-methylcyclopropyl)amino]butan-1-ol
SMILESCC1CC1N(C)CCCCO
InChIInChI=1S/C9H19NO/c1-8-7-9(8)10(2)5-3-4-6-11/h8-9,11H,3-7H2,1-2H3
InChIKeyOBXVZFVJSSUVIP-UHFFFAOYSA-N
XLogP1.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[methyl-(2-methylcyclopropyl)amino]butan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(2-methylcyclopropyl)amino]butan-1-ol?
The IUPAC name of 4-[methyl-(2-methylcyclopropyl)amino]butan-1-ol (CID 89249305) is 4-[methyl-(2-methylcyclopropyl)amino]butan-1-ol.
What is the SMILES notation for 4-[methyl-(2-methylcyclopropyl)amino]butan-1-ol?
The canonical SMILES for 4-[methyl-(2-methylcyclopropyl)amino]butan-1-ol is CC1CC1N(C)CCCCO.
What is the InChIKey of 4-[methyl-(2-methylcyclopropyl)amino]butan-1-ol?
The InChIKey is OBXVZFVJSSUVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8-7-9(8)10(2)5-3-4-6-11/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 4-[methyl-(2-methylcyclopropyl)amino]butan-1-ol?
4-[methyl-(2-methylcyclopropyl)amino]butan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(2-methylcyclopropyl)amino]butan-1-ol is sourced from PubChem (CID 89249305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).