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

C12H23NO — CID 21282976

IUPAC(E)-2-amino-5-cyclopropyl-6,6-dimethylhept-3-en-1-ol
SMILESCC(C)(C)C(/C=C/C(N)CO)C1CC1
InChIInChI=1S/C12H23NO/c1-12(2,3)11(9-4-5-9)7-6-10(13)8-14/h6-7,9-11,14H,4-5,8,13H2,1-3H3/b7-6+
InChIKeyOXFGNCFDUFZZEZ-VOTSOKGWSA-N
MW197.32 g/mol
LogP1.93
Rot. Bonds4

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

(E)-2-amino-5-cyclopropyl-6,6-dimethylhept-3-en-1-ol (PubChem CID 21282976) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (E)-2-amino-5-cyclopropyl-6,6-dimethylhept-3-en-1-ol.

Molecular Properties

Compound Name(E)-2-amino-5-cyclopropyl-6,6-dimethylhept-3-en-1-ol
PubChem CID21282976
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(E)-2-amino-5-cyclopropyl-6,6-dimethylhept-3-en-1-ol
SMILESCC(C)(C)C(/C=C/C(N)CO)C1CC1
InChIInChI=1S/C12H23NO/c1-12(2,3)11(9-4-5-9)7-6-10(13)8-14/h6-7,9-11,14H,4-5,8,13H2,1-3H3/b7-6+
InChIKeyOXFGNCFDUFZZEZ-VOTSOKGWSA-N
XLogP1.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-amino-5-cyclopropyl-6,6-dimethylhept-3-en-1-ol?
The IUPAC name of (E)-2-amino-5-cyclopropyl-6,6-dimethylhept-3-en-1-ol (CID 21282976) is (E)-2-amino-5-cyclopropyl-6,6-dimethylhept-3-en-1-ol.
What is the SMILES notation for (E)-2-amino-5-cyclopropyl-6,6-dimethylhept-3-en-1-ol?
The canonical SMILES for (E)-2-amino-5-cyclopropyl-6,6-dimethylhept-3-en-1-ol is CC(C)(C)C(/C=C/C(N)CO)C1CC1.
What is the InChIKey of (E)-2-amino-5-cyclopropyl-6,6-dimethylhept-3-en-1-ol?
The InChIKey is OXFGNCFDUFZZEZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(2,3)11(9-4-5-9)7-6-10(13)8-14/h6-7,9-11,14H,4-5,8,13H2,1-3H3/b7-6+.
What are the key properties of (E)-2-amino-5-cyclopropyl-6,6-dimethylhept-3-en-1-ol?
(E)-2-amino-5-cyclopropyl-6,6-dimethylhept-3-en-1-ol has a molecular weight of 197.32 g/mol, XLogP of 1.93, 4 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-6,6-dimethylhept-3-en-1-ol is sourced from PubChem (CID 21282976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).