N-(1-methoxyethyl)-2-methyl-4-(4-methylcyclohex-2-en-1-yl)butan-2-amine

C15H29NO — CID 147377496

IUPACN-(1-methoxyethyl)-2-methyl-4-(4-methylcyclohex-2-en-1-yl)butan-2-amine
SMILESCOC(C)NC(C)(C)CCC1C=CC(C)CC1
InChIInChI=1S/C15H29NO/c1-12-6-8-14(9-7-12)10-11-15(3,4)16-13(2)17-5/h6,8,12-14,16H,7,9-11H2,1-5H3
InChIKeyDKHODKUEWQKAPZ-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.73
Rot. Bonds6

About N-(1-methoxyethyl)-2-methyl-4-(4-methylcyclohex-2-en-1-yl)butan-2-amine

N-(1-methoxyethyl)-2-methyl-4-(4-methylcyclohex-2-en-1-yl)butan-2-amine (PubChem CID 147377496) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-(1-methoxyethyl)-2-methyl-4-(4-methylcyclohex-2-en-1-yl)butan-2-amine.

Molecular Properties

Compound NameN-(1-methoxyethyl)-2-methyl-4-(4-methylcyclohex-2-en-1-yl)butan-2-amine
PubChem CID147377496
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-(1-methoxyethyl)-2-methyl-4-(4-methylcyclohex-2-en-1-yl)butan-2-amine
SMILESCOC(C)NC(C)(C)CCC1C=CC(C)CC1
InChIInChI=1S/C15H29NO/c1-12-6-8-14(9-7-12)10-11-15(3,4)16-13(2)17-5/h6,8,12-14,16H,7,9-11H2,1-5H3
InChIKeyDKHODKUEWQKAPZ-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-(3-methoxypropyl)-1,4-dimethylcyclohex-3-en-1-amine
CID 123329771
N-[2-(1-methoxyethyl)pent-3-enyl]-5-methyldecan-5-amine
CID 123676668
(1R)-2-(cyclohexa-1,5-dien-1-ylmethyl)-N-(1-methoxyethyl)cyclopent-3-en-1-amine
CID 173997248
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-methoxyethanamine
CID 28610308
N-[[(1S)-cyclohex-3-en-1-yl]methyl]-2-methoxyethanamine
CID 28610310
(2R)-N-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-methoxypropan-2-amine
CID 28612922
(2S)-N-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-methoxypropan-2-amine
CID 28612925
(2R)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-methoxypropan-2-amine
CID 28612928
(2S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-methoxypropan-2-amine
CID 28612931
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

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxyethyl)-2-methyl-4-(4-methylcyclohex-2-en-1-yl)butan-2-amine?
The IUPAC name of N-(1-methoxyethyl)-2-methyl-4-(4-methylcyclohex-2-en-1-yl)butan-2-amine (CID 147377496) is N-(1-methoxyethyl)-2-methyl-4-(4-methylcyclohex-2-en-1-yl)butan-2-amine.
What is the SMILES notation for N-(1-methoxyethyl)-2-methyl-4-(4-methylcyclohex-2-en-1-yl)butan-2-amine?
The canonical SMILES for N-(1-methoxyethyl)-2-methyl-4-(4-methylcyclohex-2-en-1-yl)butan-2-amine is COC(C)NC(C)(C)CCC1C=CC(C)CC1.
What is the InChIKey of N-(1-methoxyethyl)-2-methyl-4-(4-methylcyclohex-2-en-1-yl)butan-2-amine?
The InChIKey is DKHODKUEWQKAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12-6-8-14(9-7-12)10-11-15(3,4)16-13(2)17-5/h6,8,12-14,16H,7,9-11H2,1-5H3.
What are the key properties of N-(1-methoxyethyl)-2-methyl-4-(4-methylcyclohex-2-en-1-yl)butan-2-amine?
N-(1-methoxyethyl)-2-methyl-4-(4-methylcyclohex-2-en-1-yl)butan-2-amine has a molecular weight of 239.40 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxyethyl)-2-methyl-4-(4-methylcyclohex-2-en-1-yl)butan-2-amine is sourced from PubChem (CID 147377496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).