1-[[[(2R)-hex-5-en-2-yl]amino]methyl]cyclohexan-1-ol

C13H25NO — CID 97358824

IUPAC1-[[[(2R)-hex-5-en-2-yl]amino]methyl]cyclohexan-1-ol
SMILESC=CCC[C@@H](C)NCC1(O)CCCCC1
InChIInChI=1S/C13H25NO/c1-3-4-8-12(2)14-11-13(15)9-6-5-7-10-13/h3,12,14-15H,1,4-11H2,2H3/t12-/m1/s1
InChIKeyKCWFZDGISLFLAJ-GFCCVEGCSA-N
MW211.35 g/mol
LogP2.63
Rot. Bonds6

About 1-[[[(2R)-hex-5-en-2-yl]amino]methyl]cyclohexan-1-ol

1-[[[(2R)-hex-5-en-2-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 97358824) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-[[[(2R)-hex-5-en-2-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[(2R)-hex-5-en-2-yl]amino]methyl]cyclohexan-1-ol
PubChem CID97358824
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-[[[(2R)-hex-5-en-2-yl]amino]methyl]cyclohexan-1-ol
SMILESC=CCC[C@@H](C)NCC1(O)CCCCC1
InChIInChI=1S/C13H25NO/c1-3-4-8-12(2)14-11-13(15)9-6-5-7-10-13/h3,12,14-15H,1,4-11H2,2H3/t12-/m1/s1
InChIKeyKCWFZDGISLFLAJ-GFCCVEGCSA-N
XLogP2.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[[[(2R)-hex-5-en-2-yl]amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

4-Pyrrolidin-2-yl-hepta-1,6-dien-4-ol
CID 3138066
1-[(2-Methylcyclohexyl)amino]hex-5-EN-2-OL
CID 86797547
4-[(2S)-pyrrolidin-2-yl]hepta-1,6-dien-4-ol
CID 788018
(3S,4S)-5-cyclohexyl-4-(propan-2-ylamino)pent-1-en-3-ol
CID 57918983
5-Cyclohexyl-4-(propan-2-ylamino)pent-1-en-3-ol
CID 57918995
1-{[(Propan-2-yl)amino]methyl}cyclohexan-1-ol
CID 59988894
1-Methyl-4-prop-1-en-2-yl-2-(prop-2-enylamino)cyclohexan-1-ol
CID 70136490
trans-(1S,2R)-1-ethenyl-2-(methylamino)cyclohexan-1-ol
CID 96007625
2-(5-Methylidenepiperidin-2-yl)propan-2-ol
CID 123222464
3-But-3-enylpiperidin-3-ol
CID 130835884
(4R)-2,3,4-trimethyl-4-(propan-2-ylamino)non-8-en-3-ol
CID 170636685
4-Cyclohexyl-3-(propan-2-ylamino)but-1-en-2-ol
CID 170714329

Frequently Asked Questions

What is the IUPAC name of 1-[[[(2R)-hex-5-en-2-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[[(2R)-hex-5-en-2-yl]amino]methyl]cyclohexan-1-ol (CID 97358824) is 1-[[[(2R)-hex-5-en-2-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[[(2R)-hex-5-en-2-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[[(2R)-hex-5-en-2-yl]amino]methyl]cyclohexan-1-ol is C=CCC[C@@H](C)NCC1(O)CCCCC1.
What is the InChIKey of 1-[[[(2R)-hex-5-en-2-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is KCWFZDGISLFLAJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-4-8-12(2)14-11-13(15)9-6-5-7-10-13/h3,12,14-15H,1,4-11H2,2H3/t12-/m1/s1.
What are the key properties of 1-[[[(2R)-hex-5-en-2-yl]amino]methyl]cyclohexan-1-ol?
1-[[[(2R)-hex-5-en-2-yl]amino]methyl]cyclohexan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[(2R)-hex-5-en-2-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 97358824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).