N-(3-methoxypropyl)-1,4-dimethylcyclohex-3-en-1-amine

C12H23NO — CID 123329771

IUPACN-(3-methoxypropyl)-1,4-dimethylcyclohex-3-en-1-amine
SMILESCOCCCNC1(C)CC=C(C)CC1
InChIInChI=1S/C12H23NO/c1-11-5-7-12(2,8-6-11)13-9-4-10-14-3/h5,13H,4,6-10H2,1-3H3
InChIKeyWHRJHGNZBWZXRC-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds5

About N-(3-methoxypropyl)-1,4-dimethylcyclohex-3-en-1-amine

N-(3-methoxypropyl)-1,4-dimethylcyclohex-3-en-1-amine (PubChem CID 123329771) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1,4-dimethylcyclohex-3-en-1-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1,4-dimethylcyclohex-3-en-1-amine
PubChem CID123329771
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-(3-methoxypropyl)-1,4-dimethylcyclohex-3-en-1-amine
SMILESCOCCCNC1(C)CC=C(C)CC1
InChIInChI=1S/C12H23NO/c1-11-5-7-12(2,8-6-11)13-9-4-10-14-3/h5,13H,4,6-10H2,1-3H3
InChIKeyWHRJHGNZBWZXRC-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.50
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

N-butyl-5-methoxy-1,5-dimethylcyclohex-2-en-1-amine
CID 67926724
3-[[(1S)-4-methylcyclohex-3-en-1-yl]methylamino]propan-1-ol
CID 142067814
N-(1-methoxyethyl)-2-methyl-4-(4-methylcyclohex-2-en-1-yl)butan-2-amine
CID 147377496
Ethane;4-ethyl-8-oxa-1-azaspiro[4.5]dec-3-ene
CID 153621753
N-(2-methoxyethyl)-4-methylcyclohex-3-en-1-amine
CID 154694558
2-methyl-N-[[(1S)-4-methylcyclohex-3-en-1-yl]methyl]propan-2-amine
CID 157542225
(1R)-2-(cyclohexa-1,5-dien-1-ylmethyl)-N-(1-methoxyethyl)cyclopent-3-en-1-amine
CID 173997248
ethane;N-(2-methoxyethyl)-4-methylcyclohex-3-en-1-amine
CID 177317151
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-[2-(cyclohexen-1-yl)ethyl]-4-methoxy-4-methylpentan-2-amine
CID 43147114
N-(cyclohex-3-en-1-ylmethyl)-3-ethoxypropan-1-amine
CID 43180696

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1,4-dimethylcyclohex-3-en-1-amine?
The IUPAC name of N-(3-methoxypropyl)-1,4-dimethylcyclohex-3-en-1-amine (CID 123329771) is N-(3-methoxypropyl)-1,4-dimethylcyclohex-3-en-1-amine.
What is the SMILES notation for N-(3-methoxypropyl)-1,4-dimethylcyclohex-3-en-1-amine?
The canonical SMILES for N-(3-methoxypropyl)-1,4-dimethylcyclohex-3-en-1-amine is COCCCNC1(C)CC=C(C)CC1.
What is the InChIKey of N-(3-methoxypropyl)-1,4-dimethylcyclohex-3-en-1-amine?
The InChIKey is WHRJHGNZBWZXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11-5-7-12(2,8-6-11)13-9-4-10-14-3/h5,13H,4,6-10H2,1-3H3.
What are the key properties of N-(3-methoxypropyl)-1,4-dimethylcyclohex-3-en-1-amine?
N-(3-methoxypropyl)-1,4-dimethylcyclohex-3-en-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1,4-dimethylcyclohex-3-en-1-amine is sourced from PubChem (CID 123329771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).