(S)-butylamino(cyclohex-3-en-1-yl)methanol

C11H21NO — CID 118933791

IUPAC(S)-butylamino(cyclohex-3-en-1-yl)methanol
SMILESCCCCN[C@@H](O)C1CC=CCC1
InChIInChI=1S/C11H21NO/c1-2-3-9-12-11(13)10-7-5-4-6-8-10/h4-5,10-13H,2-3,6-9H2,1H3/t10?,11-/m0/s1
InChIKeyKPNIBRACBULLOC-DTIOYNMSSA-N
MW183.29 g/mol
LogP2.05
Rot. Bonds5

About (S)-butylamino(cyclohex-3-en-1-yl)methanol

(S)-butylamino(cyclohex-3-en-1-yl)methanol (PubChem CID 118933791) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (S)-butylamino(cyclohex-3-en-1-yl)methanol.

Molecular Properties

Compound Name(S)-butylamino(cyclohex-3-en-1-yl)methanol
PubChem CID118933791
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(S)-butylamino(cyclohex-3-en-1-yl)methanol
SMILESCCCCN[C@@H](O)C1CC=CCC1
InChIInChI=1S/C11H21NO/c1-2-3-9-12-11(13)10-7-5-4-6-8-10/h4-5,10-13H,2-3,6-9H2,1H3/t10?,11-/m0/s1
InChIKeyKPNIBRACBULLOC-DTIOYNMSSA-N
XLogP2.05
TPSA32.26 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 ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (S)-butylamino(cyclohex-3-en-1-yl)methanol?
The IUPAC name of (S)-butylamino(cyclohex-3-en-1-yl)methanol (CID 118933791) is (S)-butylamino(cyclohex-3-en-1-yl)methanol.
What is the SMILES notation for (S)-butylamino(cyclohex-3-en-1-yl)methanol?
The canonical SMILES for (S)-butylamino(cyclohex-3-en-1-yl)methanol is CCCCN[C@@H](O)C1CC=CCC1.
What is the InChIKey of (S)-butylamino(cyclohex-3-en-1-yl)methanol?
The InChIKey is KPNIBRACBULLOC-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-3-9-12-11(13)10-7-5-4-6-8-10/h4-5,10-13H,2-3,6-9H2,1H3/t10?,11-/m0/s1.
What are the key properties of (S)-butylamino(cyclohex-3-en-1-yl)methanol?
(S)-butylamino(cyclohex-3-en-1-yl)methanol has a molecular weight of 183.29 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-butylamino(cyclohex-3-en-1-yl)methanol is sourced from PubChem (CID 118933791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).