[1-(aminomethyl)-4-ethylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol

C18H33NO — CID 103277856

IUPAC[1-(aminomethyl)-4-ethylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol
SMILESCCC1CCC(CN)(C(O)C2CC(C)=CC(C)C2)CC1
InChIInChI=1S/C18H33NO/c1-4-15-5-7-18(12-19,8-6-15)17(20)16-10-13(2)9-14(3)11-16/h9,13,15-17,20H,4-8,10-12,19H2,1-3H3
InChIKeyARHMSUYGISPEEG-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.88
Rot. Bonds4

About [1-(aminomethyl)-4-ethylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol

[1-(aminomethyl)-4-ethylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol (PubChem CID 103277856) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is [1-(aminomethyl)-4-ethylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-4-ethylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol
PubChem CID103277856
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name[1-(aminomethyl)-4-ethylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol
SMILESCCC1CCC(CN)(C(O)C2CC(C)=CC(C)C2)CC1
InChIInChI=1S/C18H33NO/c1-4-15-5-7-18(12-19,8-6-15)17(20)16-10-13(2)9-14(3)11-16/h9,13,15-17,20H,4-8,10-12,19H2,1-3H3
InChIKeyARHMSUYGISPEEG-UHFFFAOYSA-N
XLogP3.88
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.88
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

2-(Aminomethyl)-2-(((1r,5s)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl)-4-methylpentan-1-ol
CID 169490535
(2S)-1-[(1S)-2-amino-1-[(2S)-4-methyl-2-propan-2-ylpent-3-enyl]cyclohexyl]propan-2-ol
CID 57209083
(6E)-9-amino-11-methyl-10-prop-2-enyl-1-[(6S)-2,2,6-trimethylcyclohexyl]tetradeca-6,13-dien-3-ol
CID 68235662
(1S,2S)-2-amino-1-[1-[(2S)-4-methyl-2-propan-2-ylpent-3-enyl]cyclohexyl]propan-1-ol
CID 70107117
(1S)-3-[(5R)-5-ethylcyclohexen-1-yl]-1-[4-(methylaminomethyl)cyclohexyl]propan-1-ol
CID 70325290
(1S)-1-[4-(butylaminomethyl)cyclohexyl]-3-(5-ethylcyclohexen-1-yl)propan-1-ol
CID 70325306
(Z)-3-(aminomethyl)nonadec-10-en-2-ol
CID 88627059
2-[[(2R)-3-amino-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl]methyl]oct-1-en-4-ol
CID 143986694
6-amino-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol
CID 156526489
(12Z)-10-amino-8-butan-2-yl-4a,5,8,9-tetramethyl-1,2,3,4,5,6,7,9,10,11-decahydrobenzo[10]annulen-2-ol;ethane;3-ethyl-2-methylheptane
CID 162385957
(3aS,5aR,6S)-8-(aminomethyl)-3a-methyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]inden-6-ol
CID 177144134
2-(Aminomethyl)-2-(cyclohexen-1-yl)butan-1-ol
CID 13460671

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-ethylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol?
The IUPAC name of [1-(aminomethyl)-4-ethylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol (CID 103277856) is [1-(aminomethyl)-4-ethylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)-4-ethylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol?
The canonical SMILES for [1-(aminomethyl)-4-ethylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol is CCC1CCC(CN)(C(O)C2CC(C)=CC(C)C2)CC1.
What is the InChIKey of [1-(aminomethyl)-4-ethylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol?
The InChIKey is ARHMSUYGISPEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-4-15-5-7-18(12-19,8-6-15)17(20)16-10-13(2)9-14(3)11-16/h9,13,15-17,20H,4-8,10-12,19H2,1-3H3.
What are the key properties of [1-(aminomethyl)-4-ethylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol?
[1-(aminomethyl)-4-ethylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol has a molecular weight of 279.47 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-ethylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol is sourced from PubChem (CID 103277856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).