1-cyclohexyl-2-(hex-5-en-2-ylamino)ethanol

C14H27NO — CID 104582217

IUPAC1-cyclohexyl-2-(hex-5-en-2-ylamino)ethanol
SMILESC=CCCC(C)NCC(O)C1CCCCC1
InChIInChI=1S/C14H27NO/c1-3-4-8-12(2)15-11-14(16)13-9-6-5-7-10-13/h3,12-16H,1,4-11H2,2H3
InChIKeySGGJXMMVUAYOPF-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.87
Rot. Bonds7

About 1-cyclohexyl-2-(hex-5-en-2-ylamino)ethanol

1-cyclohexyl-2-(hex-5-en-2-ylamino)ethanol (PubChem CID 104582217) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-cyclohexyl-2-(hex-5-en-2-ylamino)ethanol.

Molecular Properties

Compound Name1-cyclohexyl-2-(hex-5-en-2-ylamino)ethanol
PubChem CID104582217
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-cyclohexyl-2-(hex-5-en-2-ylamino)ethanol
SMILESC=CCCC(C)NCC(O)C1CCCCC1
InChIInChI=1S/C14H27NO/c1-3-4-8-12(2)15-11-14(16)13-9-6-5-7-10-13/h3,12-16H,1,4-11H2,2H3
InChIKeySGGJXMMVUAYOPF-UHFFFAOYSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4R,5S,6S)-6-but-3-enyl-2-(hydroxymethyl)-5-methylpiperidine-3,4-diol
CID 46906931
(s)-N-(10-undecenyl)leucinol
CID 129847194
1-[(2-Methylcyclohexyl)amino]hex-5-EN-2-OL
CID 86797547
1-Cyclohex-3-en-1-yl-2-(cyclohexylamino)ethanol
CID 134924288
2-(Tert-butylamino)-1-cyclohex-3-en-1-ylethanol
CID 134986213
4-Amino-5-cyclohexylpent-1-en-3-ol
CID 14478713
(3S,4S)-3-Hydroxy-4-amino-5-cyclohexyl-1-pentene
CID 14478714
(3R,4S)-4-amino-5-cyclohexylpent-1-en-3-ol
CID 18642362
2-Amino-1-cyclohexyl-5-propan-2-ylhept-6-en-3-ol
CID 19736480
2-Amino-1-cyclohexylhex-5-en-3-ol
CID 53750835
(alphaS,betaS)-beta-amino-alpha-[(S)-2-isopropyl-3-butenyl]cyclohexanepropanol
CID 54059668
(2S,3S,4S)-2-amino-1-cyclohexyl-4-propan-2-ylhept-6-en-3-ol
CID 57254816

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(hex-5-en-2-ylamino)ethanol?
The IUPAC name of 1-cyclohexyl-2-(hex-5-en-2-ylamino)ethanol (CID 104582217) is 1-cyclohexyl-2-(hex-5-en-2-ylamino)ethanol.
What is the SMILES notation for 1-cyclohexyl-2-(hex-5-en-2-ylamino)ethanol?
The canonical SMILES for 1-cyclohexyl-2-(hex-5-en-2-ylamino)ethanol is C=CCCC(C)NCC(O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(hex-5-en-2-ylamino)ethanol?
The InChIKey is SGGJXMMVUAYOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-4-8-12(2)15-11-14(16)13-9-6-5-7-10-13/h3,12-16H,1,4-11H2,2H3.
What are the key properties of 1-cyclohexyl-2-(hex-5-en-2-ylamino)ethanol?
1-cyclohexyl-2-(hex-5-en-2-ylamino)ethanol has a molecular weight of 225.38 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(hex-5-en-2-ylamino)ethanol is sourced from PubChem (CID 104582217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).