1-(cyclohexen-1-yl)-5-methoxy-N-methylpentan-2-amine

C13H25NO — CID 114857021

IUPAC1-(cyclohexen-1-yl)-5-methoxy-N-methylpentan-2-amine
SMILESCNC(CCCOC)CC1=CCCCC1
InChIInChI=1S/C13H25NO/c1-14-13(9-6-10-15-2)11-12-7-4-3-5-8-12/h7,13-14H,3-6,8-11H2,1-2H3
InChIKeyKTUHKZLYMDVTRE-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.89
Rot. Bonds7

About 1-(cyclohexen-1-yl)-5-methoxy-N-methylpentan-2-amine

1-(cyclohexen-1-yl)-5-methoxy-N-methylpentan-2-amine (PubChem CID 114857021) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-5-methoxy-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-5-methoxy-N-methylpentan-2-amine
PubChem CID114857021
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(cyclohexen-1-yl)-5-methoxy-N-methylpentan-2-amine
SMILESCNC(CCCOC)CC1=CCCCC1
InChIInChI=1S/C13H25NO/c1-14-13(9-6-10-15-2)11-12-7-4-3-5-8-12/h7,13-14H,3-6,8-11H2,1-2H3
InChIKeyKTUHKZLYMDVTRE-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
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

1-(cyclohexen-1-yl)-5-methoxypentan-2-amine
CID 114857019
1-(cyclohexen-1-yl)-N-methyl-5-phenylpentan-2-amine
CID 116661527
1-(cyclohexen-1-yl)-N,5-dimethylhex-5-en-2-amine
CID 114475921
5-methoxy-N-methyl-1-(4-methylphenyl)pentan-2-amine
CID 62603606
1-(cyclohexen-1-yl)-N-methyl-4-thiophen-3-ylbutan-2-amine
CID 116661623
1-(cyclohexen-1-yl)-N-ethylundecan-2-amine
CID 116661766
1-(cyclohexen-1-yl)-4-methoxybutan-1-ol
CID 106657944
5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine
CID 65092154
1-(5-bromo-2-methoxyphenyl)-3-(cyclohexen-1-yl)-N-methylpropan-2-amine
CID 116661454
5-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 65092092
1-(cyclohexen-1-yl)pentan-2-ylhydrazine
CID 105269890
1-(cyclohexen-1-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine
CID 116661499

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-5-methoxy-N-methylpentan-2-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-5-methoxy-N-methylpentan-2-amine (CID 114857021) is 1-(cyclohexen-1-yl)-5-methoxy-N-methylpentan-2-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-5-methoxy-N-methylpentan-2-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-5-methoxy-N-methylpentan-2-amine is CNC(CCCOC)CC1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-5-methoxy-N-methylpentan-2-amine?
The InChIKey is KTUHKZLYMDVTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-14-13(9-6-10-15-2)11-12-7-4-3-5-8-12/h7,13-14H,3-6,8-11H2,1-2H3.
What are the key properties of 1-(cyclohexen-1-yl)-5-methoxy-N-methylpentan-2-amine?
1-(cyclohexen-1-yl)-5-methoxy-N-methylpentan-2-amine has a molecular weight of 211.35 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-5-methoxy-N-methylpentan-2-amine is sourced from PubChem (CID 114857021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).