1-(cyclohexen-1-yl)-N-ethyl-2-methoxy-3-methylbutan-1-amine

C14H27NO — CID 106654474

IUPAC1-(cyclohexen-1-yl)-N-ethyl-2-methoxy-3-methylbutan-1-amine
SMILESCCNC(C1=CCCCC1)C(OC)C(C)C
InChIInChI=1S/C14H27NO/c1-5-15-13(14(16-4)11(2)3)12-9-7-6-8-10-12/h9,11,13-15H,5-8,10H2,1-4H3
InChIKeyLQQBDFSNTDPDGJ-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.14
Rot. Bonds6

About 1-(cyclohexen-1-yl)-N-ethyl-2-methoxy-3-methylbutan-1-amine

1-(cyclohexen-1-yl)-N-ethyl-2-methoxy-3-methylbutan-1-amine (PubChem CID 106654474) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-ethyl-2-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-ethyl-2-methoxy-3-methylbutan-1-amine
PubChem CID106654474
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(cyclohexen-1-yl)-N-ethyl-2-methoxy-3-methylbutan-1-amine
SMILESCCNC(C1=CCCCC1)C(OC)C(C)C
InChIInChI=1S/C14H27NO/c1-5-15-13(14(16-4)11(2)3)12-9-7-6-8-10-12/h9,11,13-15H,5-8,10H2,1-4H3
InChIKeyLQQBDFSNTDPDGJ-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(cyclohexen-1-yl)-N-ethyl-2-methoxy-3-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-ethyl-2-methylcyclohex-3-en-1-yl)oxy-N-propan-2-ylpropan-1-amine
CID 90809587
N-(cyclohexa-1,3-dien-1-ylmethyl)-2-[(8E,10E)-hexadeca-8,10-dienoxy]-3,13,15-trimethylicosan-1-amine
CID 134388035
3-cyclopenta-2,4-dien-1-yl-6-methoxy-N-methylcyclohex-2-en-1-amine
CID 141424891
N-ethyl-8-methoxy-7-methyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-amine
CID 163962157
(3S)-3-methoxy-5-propan-2-yl-2,3,4,7-tetrahydro-1H-azepine
CID 172496572
3-methoxy-5-propan-2-yl-2,3,4,7-tetrahydro-1H-azepine
CID 172496725
(3R)-3-methoxy-5-propan-2-yl-2,3,4,7-tetrahydro-1H-azepine
CID 172496830
3-tert-butyl-N-(2-methoxyethyl)cyclohex-2-en-1-amine
CID 177265623
N-[2-(cyclohexen-1-yl)ethyl]-2-methoxycyclohexan-1-amine
CID 43766394
N-[cyclohexen-1-yl(oxan-2-yl)methyl]propan-1-amine
CID 55048190
N-[cyclohepten-1-yl(1,4-dioxan-2-yl)methyl]ethanamine
CID 55119665
N-[cyclohexen-1-yl(oxolan-2-yl)methyl]ethanamine
CID 62078329

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-2-methoxy-3-methylbutan-1-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-2-methoxy-3-methylbutan-1-amine (CID 106654474) is 1-(cyclohexen-1-yl)-N-ethyl-2-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-ethyl-2-methoxy-3-methylbutan-1-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-ethyl-2-methoxy-3-methylbutan-1-amine is CCNC(C1=CCCCC1)C(OC)C(C)C.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-ethyl-2-methoxy-3-methylbutan-1-amine?
The InChIKey is LQQBDFSNTDPDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-5-15-13(14(16-4)11(2)3)12-9-7-6-8-10-12/h9,11,13-15H,5-8,10H2,1-4H3.
What are the key properties of 1-(cyclohexen-1-yl)-N-ethyl-2-methoxy-3-methylbutan-1-amine?
1-(cyclohexen-1-yl)-N-ethyl-2-methoxy-3-methylbutan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-N-ethyl-2-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 106654474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).