4-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylbutan-1-amine

C15H29NO — CID 62456472

IUPAC4-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylbutan-1-amine
SMILESCCCNCCCCOCC1CC=CCC1C
InChIInChI=1S/C15H29NO/c1-3-10-16-11-6-7-12-17-13-15-9-5-4-8-14(15)2/h4-5,14-16H,3,6-13H2,1-2H3
InChIKeyAUUFAPBJDPEIAE-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.39
Rot. Bonds9

About 4-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylbutan-1-amine

4-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylbutan-1-amine (PubChem CID 62456472) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 4-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylbutan-1-amine
PubChem CID62456472
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name4-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylbutan-1-amine
SMILESCCCNCCCCOCC1CC=CCC1C
InChIInChI=1S/C15H29NO/c1-3-10-16-11-6-7-12-17-13-15-9-5-4-8-14(15)2/h4-5,14-16H,3,6-13H2,1-2H3
InChIKeyAUUFAPBJDPEIAE-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.39
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

[(Cyclohex-3-en-1-yl)methyl](2-methoxyethyl)amine
CID 43180514
N-[(1S,4R)-4-propan-2-ylcyclopent-2-en-1-yl]oxan-4-amine
CID 71069597
3-ethyl-2-(2-methoxyethyl)-N-methylhex-4-en-1-amine
CID 89972892
11-Methyl-8-oxa-1-azaspiro[5.5]undec-3-ene
CID 122597274
(6S,11S)-11-ethyl-8-oxa-1-azaspiro[5.5]undec-3-ene
CID 122597378
(6R,11R)-11-methyl-9-oxa-1-azaspiro[5.5]undec-3-ene
CID 122597382
(E)-2-[(E)-but-2-enyl]-1-ethoxy-N-methylhept-5-en-1-amine
CID 11746310
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-methoxyethanamine
CID 28610308
N-[[(1S)-cyclohex-3-en-1-yl]methyl]-2-methoxyethanamine
CID 28610310
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-methoxypropan-1-amine
CID 28674377
N-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-methoxypropan-1-amine
CID 28674381
N-(cyclohex-3-en-1-ylmethyl)-3-ethoxypropan-1-amine
CID 43180696

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylbutan-1-amine?
The IUPAC name of 4-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylbutan-1-amine (CID 62456472) is 4-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylbutan-1-amine.
What is the SMILES notation for 4-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylbutan-1-amine?
The canonical SMILES for 4-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylbutan-1-amine is CCCNCCCCOCC1CC=CCC1C.
What is the InChIKey of 4-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylbutan-1-amine?
The InChIKey is AUUFAPBJDPEIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-10-16-11-6-7-12-17-13-15-9-5-4-8-14(15)2/h4-5,14-16H,3,6-13H2,1-2H3.
What are the key properties of 4-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylbutan-1-amine?
4-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylbutan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylbutan-1-amine is sourced from PubChem (CID 62456472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).