(E)-2-amino-5-cyclopropyl-6-methylhept-3-en-1-ol

C11H21NO — CID 21282977

IUPAC(E)-2-amino-5-cyclopropyl-6-methylhept-3-en-1-ol
SMILESCC(C)C(/C=C/C(N)CO)C1CC1
InChIInChI=1S/C11H21NO/c1-8(2)11(9-3-4-9)6-5-10(12)7-13/h5-6,8-11,13H,3-4,7,12H2,1-2H3/b6-5+
InChIKeyBSWUCACUGONGFK-AATRIKPKSA-N
MW183.29 g/mol
LogP1.54
Rot. Bonds5

About (E)-2-amino-5-cyclopropyl-6-methylhept-3-en-1-ol

(E)-2-amino-5-cyclopropyl-6-methylhept-3-en-1-ol (PubChem CID 21282977) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (E)-2-amino-5-cyclopropyl-6-methylhept-3-en-1-ol.

Molecular Properties

Compound Name(E)-2-amino-5-cyclopropyl-6-methylhept-3-en-1-ol
PubChem CID21282977
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(E)-2-amino-5-cyclopropyl-6-methylhept-3-en-1-ol
SMILESCC(C)C(/C=C/C(N)CO)C1CC1
InChIInChI=1S/C11H21NO/c1-8(2)11(9-3-4-9)6-5-10(12)7-13/h5-6,8-11,13H,3-4,7,12H2,1-2H3/b6-5+
InChIKeyBSWUCACUGONGFK-AATRIKPKSA-N
XLogP1.54
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-2-amino-5-cyclopropyl-6-methylhept-3-en-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 (E)-2-amino-5-cyclopropyl-6-methylhept-3-en-1-ol?
The IUPAC name of (E)-2-amino-5-cyclopropyl-6-methylhept-3-en-1-ol (CID 21282977) is (E)-2-amino-5-cyclopropyl-6-methylhept-3-en-1-ol.
What is the SMILES notation for (E)-2-amino-5-cyclopropyl-6-methylhept-3-en-1-ol?
The canonical SMILES for (E)-2-amino-5-cyclopropyl-6-methylhept-3-en-1-ol is CC(C)C(/C=C/C(N)CO)C1CC1.
What is the InChIKey of (E)-2-amino-5-cyclopropyl-6-methylhept-3-en-1-ol?
The InChIKey is BSWUCACUGONGFK-AATRIKPKSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)11(9-3-4-9)6-5-10(12)7-13/h5-6,8-11,13H,3-4,7,12H2,1-2H3/b6-5+.
What are the key properties of (E)-2-amino-5-cyclopropyl-6-methylhept-3-en-1-ol?
(E)-2-amino-5-cyclopropyl-6-methylhept-3-en-1-ol has a molecular weight of 183.29 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-5-cyclopropyl-6-methylhept-3-en-1-ol is sourced from PubChem (CID 21282977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).