(3R,4S)-4-amino-5-cyclohexylpent-1-en-3-ol

C11H21NO — CID 18642362

IUPAC(3R,4S)-4-amino-5-cyclohexylpent-1-en-3-ol
SMILESC=C[C@@H](O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C11H21NO/c1-2-11(13)10(12)8-9-6-4-3-5-7-9/h2,9-11,13H,1,3-8,12H2/t10-,11+/m0/s1
InChIKeyZOEIDLHSPUJXOJ-WDEREUQCSA-N
MW183.30 g/mol
LogP1.83
Rot. Bonds4

About (3R,4S)-4-amino-5-cyclohexylpent-1-en-3-ol

(3R,4S)-4-amino-5-cyclohexylpent-1-en-3-ol (PubChem CID 18642362) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is (3R,4S)-4-amino-5-cyclohexylpent-1-en-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-amino-5-cyclohexylpent-1-en-3-ol
PubChem CID18642362
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name(3R,4S)-4-amino-5-cyclohexylpent-1-en-3-ol
SMILESC=C[C@@H](O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C11H21NO/c1-2-11(13)10(12)8-9-6-4-3-5-7-9/h2,9-11,13H,1,3-8,12H2/t10-,11+/m0/s1
InChIKeyZOEIDLHSPUJXOJ-WDEREUQCSA-N
XLogP1.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.83
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 (3R,4S)-4-amino-5-cyclohexylpent-1-en-3-ol?
The IUPAC name of (3R,4S)-4-amino-5-cyclohexylpent-1-en-3-ol (CID 18642362) is (3R,4S)-4-amino-5-cyclohexylpent-1-en-3-ol.
What is the SMILES notation for (3R,4S)-4-amino-5-cyclohexylpent-1-en-3-ol?
The canonical SMILES for (3R,4S)-4-amino-5-cyclohexylpent-1-en-3-ol is C=C[C@@H](O)[C@@H](N)CC1CCCCC1.
What is the InChIKey of (3R,4S)-4-amino-5-cyclohexylpent-1-en-3-ol?
The InChIKey is ZOEIDLHSPUJXOJ-WDEREUQCSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-11(13)10(12)8-9-6-4-3-5-7-9/h2,9-11,13H,1,3-8,12H2/t10-,11+/m0/s1.
What are the key properties of (3R,4S)-4-amino-5-cyclohexylpent-1-en-3-ol?
(3R,4S)-4-amino-5-cyclohexylpent-1-en-3-ol has a molecular weight of 183.30 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-amino-5-cyclohexylpent-1-en-3-ol is sourced from PubChem (CID 18642362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).