(1S,2R)-2-(butylamino)cyclohex-3-en-1-ol

C10H19NO — CID 11263736

IUPAC(1S,2R)-2-(butylamino)cyclohex-3-en-1-ol
SMILESCCCCN[C@@H]1C=CCC[C@@H]1O
InChIInChI=1S/C10H19NO/c1-2-3-8-11-9-6-4-5-7-10(9)12/h4,6,9-12H,2-3,5,7-8H2,1H3/t9-,10+/m1/s1
InChIKeyBLPKFCKCOICFFY-ZJUUUORDSA-N
MW169.27 g/mol
LogP1.46
Rot. Bonds4

About (1S,2R)-2-(butylamino)cyclohex-3-en-1-ol

(1S,2R)-2-(butylamino)cyclohex-3-en-1-ol (PubChem CID 11263736) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (1S,2R)-2-(butylamino)cyclohex-3-en-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-(butylamino)cyclohex-3-en-1-ol
PubChem CID11263736
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(1S,2R)-2-(butylamino)cyclohex-3-en-1-ol
SMILESCCCCN[C@@H]1C=CCC[C@@H]1O
InChIInChI=1S/C10H19NO/c1-2-3-8-11-9-6-4-5-7-10(9)12/h4,6,9-12H,2-3,5,7-8H2,1H3/t9-,10+/m1/s1
InChIKeyBLPKFCKCOICFFY-ZJUUUORDSA-N
XLogP1.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,4R)-2-[(1E,3E)-penta-1,3-dienyl]piperidin-4-ol
CID 10773405
Microcosamine A
CID 25140000
6-(Propylamino)cyclohex-4-ene-1,2,3-triol
CID 44399280
6-(Hexylamino)cyclohex-4-ene-1,2,3-triol
CID 44399281
(2S,4S)-2-[(1E,3E)-penta-1,3-dienyl]piperidin-4-ol
CID 10241170
Corydendramine B
CID 10612465
Corydendramine A
CID 10731132
Pseudodistamine
CID 11075535
(2R)-1-(octa-2,4-dienylamino)heptan-2-ol
CID 163188276
(2S,4R)-2-[(1E,3E)-penta-1,3-dienyl]piperidin-4-ol
CID 15071617
(3R,4S)-4-(prop-2-enylamino)hept-6-en-3-ol
CID 134835169
(4z)-8-(Methylamino)cyclooct-4-en-1-ol
CID 12379044

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-(butylamino)cyclohex-3-en-1-ol?
The IUPAC name of (1S,2R)-2-(butylamino)cyclohex-3-en-1-ol (CID 11263736) is (1S,2R)-2-(butylamino)cyclohex-3-en-1-ol.
What is the SMILES notation for (1S,2R)-2-(butylamino)cyclohex-3-en-1-ol?
The canonical SMILES for (1S,2R)-2-(butylamino)cyclohex-3-en-1-ol is CCCCN[C@@H]1C=CCC[C@@H]1O.
What is the InChIKey of (1S,2R)-2-(butylamino)cyclohex-3-en-1-ol?
The InChIKey is BLPKFCKCOICFFY-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-3-8-11-9-6-4-5-7-10(9)12/h4,6,9-12H,2-3,5,7-8H2,1H3/t9-,10+/m1/s1.
What are the key properties of (1S,2R)-2-(butylamino)cyclohex-3-en-1-ol?
(1S,2R)-2-(butylamino)cyclohex-3-en-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-(butylamino)cyclohex-3-en-1-ol is sourced from PubChem (CID 11263736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).