[1-[(pent-4-enylamino)methyl]cyclohexyl]methanol

C13H25NO — CID 103966412

IUPAC[1-[(pent-4-enylamino)methyl]cyclohexyl]methanol
SMILESC=CCCCNCC1(CO)CCCCC1
InChIInChI=1S/C13H25NO/c1-2-3-7-10-14-11-13(12-15)8-5-4-6-9-13/h2,14-15H,1,3-12H2
InChIKeyPJAOQGPSQVUERF-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.48
Rot. Bonds7

About [1-[(pent-4-enylamino)methyl]cyclohexyl]methanol

[1-[(pent-4-enylamino)methyl]cyclohexyl]methanol (PubChem CID 103966412) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is [1-[(pent-4-enylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(pent-4-enylamino)methyl]cyclohexyl]methanol
PubChem CID103966412
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name[1-[(pent-4-enylamino)methyl]cyclohexyl]methanol
SMILESC=CCCCNCC1(CO)CCCCC1
InChIInChI=1S/C13H25NO/c1-2-3-7-10-14-11-13(12-15)8-5-4-6-9-13/h2,14-15H,1,3-12H2
InChIKeyPJAOQGPSQVUERF-UHFFFAOYSA-N
XLogP2.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.48
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

[(3E)-1-(ethylaminomethyl)-3-(methoxymethylidene)cyclohexyl]methanol
CID 10987615
[1-(But-3-enylamino)cyclohexyl]methanol
CID 64314899
[1-(Pent-4-enylamino)cyclohexyl]methanol
CID 64314900
2-[(But-3-enylamino)methyl]cyclohexan-1-ol
CID 64913253
Cyclohexanol, 2-[(4-penten-1-ylamino)methyl]-
CID 64913682
[2-[(Pent-4-enylamino)methyl]cyclohexyl]methanol
CID 65903975
[1-[[2-(Cyclohexen-1-yl)ethylamino]methyl]cyclohexyl]methanol
CID 81411298
[1-[(Prop-2-enylamino)methyl]cyclohexyl]methanol
CID 81412181
[1-[(3-Ethenoxypropylamino)methyl]cyclohexyl]methanol
CID 81412633
[1-[(Cyclohex-3-en-1-ylamino)methyl]cyclohexyl]methanol
CID 81418458
[1-[(Cyclohex-3-en-1-ylmethylamino)methyl]cyclohexyl]methanol
CID 81419341
[1-[[(3,5-Dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclohexyl]methanol
CID 103277032

Frequently Asked Questions

What is the IUPAC name of [1-[(pent-4-enylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(pent-4-enylamino)methyl]cyclohexyl]methanol (CID 103966412) is [1-[(pent-4-enylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(pent-4-enylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(pent-4-enylamino)methyl]cyclohexyl]methanol is C=CCCCNCC1(CO)CCCCC1.
What is the InChIKey of [1-[(pent-4-enylamino)methyl]cyclohexyl]methanol?
The InChIKey is PJAOQGPSQVUERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-2-3-7-10-14-11-13(12-15)8-5-4-6-9-13/h2,14-15H,1,3-12H2.
What are the key properties of [1-[(pent-4-enylamino)methyl]cyclohexyl]methanol?
[1-[(pent-4-enylamino)methyl]cyclohexyl]methanol has a molecular weight of 211.35 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(pent-4-enylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 103966412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).