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

C19H35NO — CID 103277868

IUPAC[1-(aminomethyl)-4-propylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol
SMILESCCCC1CCC(CN)(C(O)C2CC(C)=CC(C)C2)CC1
InChIInChI=1S/C19H35NO/c1-4-5-16-6-8-19(13-20,9-7-16)18(21)17-11-14(2)10-15(3)12-17/h10,14,16-18,21H,4-9,11-13,20H2,1-3H3
InChIKeyLNIYPGQYNREEQT-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.28
Rot. Bonds5

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

[1-(aminomethyl)-4-propylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol (PubChem CID 103277868) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is [1-(aminomethyl)-4-propylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-4-propylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol
PubChem CID103277868
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Name[1-(aminomethyl)-4-propylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol
SMILESCCCC1CCC(CN)(C(O)C2CC(C)=CC(C)C2)CC1
InChIInChI=1S/C19H35NO/c1-4-5-16-6-8-19(13-20,9-7-16)18(21)17-11-14(2)10-15(3)12-17/h10,14,16-18,21H,4-9,11-13,20H2,1-3H3
InChIKeyLNIYPGQYNREEQT-UHFFFAOYSA-N
XLogP4.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.28
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-propylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol?
The IUPAC name of [1-(aminomethyl)-4-propylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol (CID 103277868) is [1-(aminomethyl)-4-propylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)-4-propylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol?
The canonical SMILES for [1-(aminomethyl)-4-propylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol is CCCC1CCC(CN)(C(O)C2CC(C)=CC(C)C2)CC1.
What is the InChIKey of [1-(aminomethyl)-4-propylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol?
The InChIKey is LNIYPGQYNREEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-4-5-16-6-8-19(13-20,9-7-16)18(21)17-11-14(2)10-15(3)12-17/h10,14,16-18,21H,4-9,11-13,20H2,1-3H3.
What are the key properties of [1-(aminomethyl)-4-propylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol?
[1-(aminomethyl)-4-propylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol has a molecular weight of 293.50 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-propylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol is sourced from PubChem (CID 103277868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).