[1-[(but-3-enylamino)methyl]cyclohexyl]methanol

C12H23NO — CID 103966311

IUPAC[1-[(but-3-enylamino)methyl]cyclohexyl]methanol
SMILESC=CCCNCC1(CO)CCCCC1
InChIInChI=1S/C12H23NO/c1-2-3-9-13-10-12(11-14)7-5-4-6-8-12/h2,13-14H,1,3-11H2
InChIKeyPYVVHUOOKZMUGD-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.09
Rot. Bonds6

About [1-[(but-3-enylamino)methyl]cyclohexyl]methanol

[1-[(but-3-enylamino)methyl]cyclohexyl]methanol (PubChem CID 103966311) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is [1-[(but-3-enylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(but-3-enylamino)methyl]cyclohexyl]methanol
PubChem CID103966311
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name[1-[(but-3-enylamino)methyl]cyclohexyl]methanol
SMILESC=CCCNCC1(CO)CCCCC1
InChIInChI=1S/C12H23NO/c1-2-3-9-13-10-12(11-14)7-5-4-6-8-12/h2,13-14H,1,3-11H2
InChIKeyPYVVHUOOKZMUGD-UHFFFAOYSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.09
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

[1-[(2-cyclopropylethylamino)methyl]cyclohexyl]methanol
CID 81419373
[1-[[2-(azepan-1-yl)ethylamino]methyl]cyclohexyl]methanol
CID 81419818
1-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]cycloheptan-1-ol
CID 115359618
4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2,2-dimethylbutanenitrile
CID 103966347
[1-[(3-methylsulfanylpropylamino)methyl]cyclohexyl]methanol
CID 81418639
5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid
CID 103263075
[1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclohexyl]methanol
CID 113359626
[1-[[4-(dimethylamino)butylamino]methyl]cyclohexyl]methanol
CID 81419638
[1-[(2-phenylethylamino)methyl]cyclohexyl]methanol
CID 81411898
[1-[(hexylamino)methyl]cyclopentyl]methanol
CID 115358683
[1-[(3-ethylsulfonylpropylamino)methyl]cyclohexyl]methanol
CID 103966488
4-[[1-(hydroxymethyl)cyclopentyl]methylamino]butanenitrile
CID 115359670

Frequently Asked Questions

What is the IUPAC name of [1-[(but-3-enylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(but-3-enylamino)methyl]cyclohexyl]methanol (CID 103966311) is [1-[(but-3-enylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(but-3-enylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(but-3-enylamino)methyl]cyclohexyl]methanol is C=CCCNCC1(CO)CCCCC1.
What is the InChIKey of [1-[(but-3-enylamino)methyl]cyclohexyl]methanol?
The InChIKey is PYVVHUOOKZMUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-3-9-13-10-12(11-14)7-5-4-6-8-12/h2,13-14H,1,3-11H2.
What are the key properties of [1-[(but-3-enylamino)methyl]cyclohexyl]methanol?
[1-[(but-3-enylamino)methyl]cyclohexyl]methanol has a molecular weight of 197.32 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(but-3-enylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 103966311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).