1-[butyl-(2-methylcyclopropyl)amino]ethanol

C10H21NO — CID 89249341

IUPAC1-[butyl-(2-methylcyclopropyl)amino]ethanol
SMILESCCCCN(C(C)O)C1CC1C
InChIInChI=1S/C10H21NO/c1-4-5-6-11(9(3)12)10-7-8(10)2/h8-10,12H,4-7H2,1-3H3
InChIKeyCCFDIEZUBVWKFJ-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.84
Rot. Bonds5

About 1-[butyl-(2-methylcyclopropyl)amino]ethanol

1-[butyl-(2-methylcyclopropyl)amino]ethanol (PubChem CID 89249341) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-[butyl-(2-methylcyclopropyl)amino]ethanol.

Molecular Properties

Compound Name1-[butyl-(2-methylcyclopropyl)amino]ethanol
PubChem CID89249341
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-[butyl-(2-methylcyclopropyl)amino]ethanol
SMILESCCCCN(C(C)O)C1CC1C
InChIInChI=1S/C10H21NO/c1-4-5-6-11(9(3)12)10-7-8(10)2/h8-10,12H,4-7H2,1-3H3
InChIKeyCCFDIEZUBVWKFJ-UHFFFAOYSA-N
XLogP1.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[butyl-(2-methylcyclopropyl)amino]ethanol 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

1-[(2-methylcycloheptyl)-propylamino]ethanol
CID 71071733
N-butan-2-yl-N-butyl-2-methylcyclopropane-1-carboxamide
CID 78858376
1-[butyl-(2-methylcyclohexyl)amino]butan-1-ol
CID 71071350
ethane;N-ethyl-2-methyl-N-propan-2-ylcyclopropan-1-amine
CID 162751363
1-[ethyl-(2-methylcyclohexyl)amino]ethanol
CID 89249210
4-methyl-3-[propan-2-yl(propyl)amino]cyclohexan-1-ol
CID 165491668
N-ethyl-2,4-dimethyl-N-propan-2-ylcyclopentan-1-amine
CID 143368043
2-[butan-2-yl(butyl)amino]cyclooctan-1-ol
CID 63473248
2-N-butan-2-yl-2-N-butyl-1-N-ethyl-4-methylcyclohexane-1,2-diamine
CID 63469797
1-[butyl(1-hydroxyethyl)amino]ethanol;carbonic acid
CID 173031520
CID 87308187
CID 87308187
2-(dibutylamino)-4-methylcyclohexane-1-carboxylic acid
CID 63067550

Frequently Asked Questions

What is the IUPAC name of 1-[butyl-(2-methylcyclopropyl)amino]ethanol?
The IUPAC name of 1-[butyl-(2-methylcyclopropyl)amino]ethanol (CID 89249341) is 1-[butyl-(2-methylcyclopropyl)amino]ethanol.
What is the SMILES notation for 1-[butyl-(2-methylcyclopropyl)amino]ethanol?
The canonical SMILES for 1-[butyl-(2-methylcyclopropyl)amino]ethanol is CCCCN(C(C)O)C1CC1C.
What is the InChIKey of 1-[butyl-(2-methylcyclopropyl)amino]ethanol?
The InChIKey is CCFDIEZUBVWKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-5-6-11(9(3)12)10-7-8(10)2/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 1-[butyl-(2-methylcyclopropyl)amino]ethanol?
1-[butyl-(2-methylcyclopropyl)amino]ethanol has a molecular weight of 171.28 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl-(2-methylcyclopropyl)amino]ethanol is sourced from PubChem (CID 89249341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).