5-[4-(aminomethyl)cyclohexen-1-yl]-2-methylpentan-2-ol

C13H25NO — CID 142066699

IUPAC5-[4-(aminomethyl)cyclohexen-1-yl]-2-methylpentan-2-ol
SMILESCC(C)(O)CCCC1=CCC(CN)CC1
InChIInChI=1S/C13H25NO/c1-13(2,15)9-3-4-11-5-7-12(10-14)8-6-11/h5,12,15H,3-4,6-10,14H2,1-2H3
InChIKeyVENFFHBDLOKYIL-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.61
Rot. Bonds5

About 5-[4-(aminomethyl)cyclohexen-1-yl]-2-methylpentan-2-ol

5-[4-(aminomethyl)cyclohexen-1-yl]-2-methylpentan-2-ol (PubChem CID 142066699) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 5-[4-(aminomethyl)cyclohexen-1-yl]-2-methylpentan-2-ol.

Molecular Properties

Compound Name5-[4-(aminomethyl)cyclohexen-1-yl]-2-methylpentan-2-ol
PubChem CID142066699
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name5-[4-(aminomethyl)cyclohexen-1-yl]-2-methylpentan-2-ol
SMILESCC(C)(O)CCCC1=CCC(CN)CC1
InChIInChI=1S/C13H25NO/c1-13(2,15)9-3-4-11-5-7-12(10-14)8-6-11/h5,12,15H,3-4,6-10,14H2,1-2H3
InChIKeyVENFFHBDLOKYIL-UHFFFAOYSA-N
XLogP2.61
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.61
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

8-Amino-2,6-dimethyl-6-octen-2-ol
CID 3019878
8-Amino-2,6-dimethyloct-6-en-2-ol
CID 6365962
(4R,6R)-6-(aminomethyl)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-en-6-ol
CID 122366220
(1S)-5-(3-aminoprop-1-en-2-yl)-1-(cyclopenten-1-yl)-2-methylcyclohex-2-en-1-ol
CID 162417269
(4R,5R,E)-1-amino-4-ethyl-8-methyldec-8-en-5-ol
CID 163319732
3-Amino-2-(3,5-dimethylcyclohex-1-en-1-yl)-1,1,1-trifluoropropan-2-ol
CID 165450830
(8E,10E)-12-amino-2,6,10-trimethyldodeca-8,10-dien-2-ol
CID 17884873
2-(4-Aminomethyl-cyclohex-3-enyl)-propan-2-ol
CID 22612225
(S)-2-(4-Aminomethyl-cyclohex-3-enyl)-propan-2-ol
CID 59104125
2-[(1R)-4-(aminomethyl)cyclohex-3-en-1-yl]propan-2-ol
CID 59104145
1-Amino-2-cyclohexa-2,4-dien-1-ylnonan-2-ol
CID 68238655
(8E)-1-(aminomethyl)cyclohexadec-8-en-1-ol
CID 69505188

Frequently Asked Questions

What is the IUPAC name of 5-[4-(aminomethyl)cyclohexen-1-yl]-2-methylpentan-2-ol?
The IUPAC name of 5-[4-(aminomethyl)cyclohexen-1-yl]-2-methylpentan-2-ol (CID 142066699) is 5-[4-(aminomethyl)cyclohexen-1-yl]-2-methylpentan-2-ol.
What is the SMILES notation for 5-[4-(aminomethyl)cyclohexen-1-yl]-2-methylpentan-2-ol?
The canonical SMILES for 5-[4-(aminomethyl)cyclohexen-1-yl]-2-methylpentan-2-ol is CC(C)(O)CCCC1=CCC(CN)CC1.
What is the InChIKey of 5-[4-(aminomethyl)cyclohexen-1-yl]-2-methylpentan-2-ol?
The InChIKey is VENFFHBDLOKYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-13(2,15)9-3-4-11-5-7-12(10-14)8-6-11/h5,12,15H,3-4,6-10,14H2,1-2H3.
What are the key properties of 5-[4-(aminomethyl)cyclohexen-1-yl]-2-methylpentan-2-ol?
5-[4-(aminomethyl)cyclohexen-1-yl]-2-methylpentan-2-ol has a molecular weight of 211.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(aminomethyl)cyclohexen-1-yl]-2-methylpentan-2-ol is sourced from PubChem (CID 142066699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).