3-methyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol

C13H25NO — CID 65120575

IUPAC3-methyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol
SMILESC=CCCCNCC1(O)CCCC(C)C1
InChIInChI=1S/C13H25NO/c1-3-4-5-9-14-11-13(15)8-6-7-12(2)10-13/h3,12,14-15H,1,4-11H2,2H3
InChIKeyIGUUXWHYXMVECE-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.48
Rot. Bonds6

About 3-methyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol

3-methyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol (PubChem CID 65120575) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-methyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-methyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol
PubChem CID65120575
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-methyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol
SMILESC=CCCCNCC1(O)CCCC(C)C1
InChIInChI=1S/C13H25NO/c1-3-4-5-9-14-11-13(15)8-6-7-12(2)10-13/h3,12,14-15H,1,4-11H2,2H3
InChIKeyIGUUXWHYXMVECE-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
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

(4R)-2,3,4-trimethyl-4-(propan-2-ylamino)non-8-en-3-ol
CID 170636685
Ethane;1-(ethylaminomethyl)-3-methylcyclohexan-1-ol
CID 177955351
(6S)-8-[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]-2,6-dimethyloctan-2-ol
CID 39776337
(6R)-8-[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]-2,6-dimethyloctan-2-ol
CID 39776340
4-{[(7-Hydroxy-3,7-dimethyloctyl)amino]methyl}-1,6-heptadien-4-ol
CID 45930657
1-[(Cyclohex-3-en-1-ylmethylamino)methyl]cyclohexan-1-ol
CID 61949002
3-Methyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol
CID 62772586
1-(Ethylaminomethyl)-3-methylcyclohexan-1-ol
CID 62774685
3-Methyl-1-(propylaminomethyl)cyclohexan-1-ol
CID 62774888
1-(Ethylaminomethyl)-3,5-dimethylcyclohexan-1-ol
CID 64735589
3,5-Dimethyl-1-(propylaminomethyl)cyclohexan-1-ol
CID 64735590
3,5-Dimethyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol
CID 64735795

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 3-methyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol (CID 65120575) is 3-methyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-methyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 3-methyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol is C=CCCCNCC1(O)CCCC(C)C1.
What is the InChIKey of 3-methyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol?
The InChIKey is IGUUXWHYXMVECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-4-5-9-14-11-13(15)8-6-7-12(2)10-13/h3,12,14-15H,1,4-11H2,2H3.
What are the key properties of 3-methyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol?
3-methyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(pent-4-enylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65120575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).