N-methyl-N-[(5-methylcyclohex-3-en-1-yl)methyl]butan-1-amine

C13H25N — CID 123491648

IUPACN-methyl-N-[(5-methylcyclohex-3-en-1-yl)methyl]butan-1-amine
SMILESCCCCN(C)CC1CC=CC(C)C1
InChIInChI=1S/C13H25N/c1-4-5-9-14(3)11-13-8-6-7-12(2)10-13/h6-7,12-13H,4-5,8-11H2,1-3H3
InChIKeyOZWAZDFZMDUQCH-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.32
Rot. Bonds5

About N-methyl-N-[(5-methylcyclohex-3-en-1-yl)methyl]butan-1-amine

N-methyl-N-[(5-methylcyclohex-3-en-1-yl)methyl]butan-1-amine (PubChem CID 123491648) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-methyl-N-[(5-methylcyclohex-3-en-1-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(5-methylcyclohex-3-en-1-yl)methyl]butan-1-amine
PubChem CID123491648
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-methyl-N-[(5-methylcyclohex-3-en-1-yl)methyl]butan-1-amine
SMILESCCCCN(C)CC1CC=CC(C)C1
InChIInChI=1S/C13H25N/c1-4-5-9-14(3)11-13-8-6-7-12(2)10-13/h6-7,12-13H,4-5,8-11H2,1-3H3
InChIKeyOZWAZDFZMDUQCH-UHFFFAOYSA-N
XLogP3.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Pyrrolidine, 1-(3-cyclohexene-1-ylmethyl)-, hydrochloride
CID 200464
3-Cyclohexene-1-methylamine, N-methyl-N-2-propynyl-
CID 202797
N,N-Diethyl-3,7-dimethyl-6-octen-1-amine
CID 14525584
4-Cyclopropyl-1-methyl-1,2,3,6-tetrahydropyridine
CID 126720
4-Cyclohexyl-1,2,3,6-tetrahydro-1-methylpyridine
CID 129268
Ethylamine, 2-(2-cyclopentenyl)-N,N,1-trimethyl-
CID 49664
3-Cyclohexene-1-methylamine, N,N-dimethyl-, hydrochloride
CID 200461
3-Cyclohexene-1-methylamine, N,N-diethyl-, hydrochloride
CID 200463
3-Cyclohexene-1-methylamine, N-cyclopropyl-N-methyl-
CID 204472
[(1S)-cyclohex-3-en-1-yl]methyl-trimethylazanium iodide
CID 118719152
trimethyl-[[(1R)-3-methylcyclopent-3-en-1-yl]methyl]azanium iodide
CID 118719169
Cambridge id 5410985
CID 28239625

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylcyclohex-3-en-1-yl)methyl]butan-1-amine?
The IUPAC name of N-methyl-N-[(5-methylcyclohex-3-en-1-yl)methyl]butan-1-amine (CID 123491648) is N-methyl-N-[(5-methylcyclohex-3-en-1-yl)methyl]butan-1-amine.
What is the SMILES notation for N-methyl-N-[(5-methylcyclohex-3-en-1-yl)methyl]butan-1-amine?
The canonical SMILES for N-methyl-N-[(5-methylcyclohex-3-en-1-yl)methyl]butan-1-amine is CCCCN(C)CC1CC=CC(C)C1.
What is the InChIKey of N-methyl-N-[(5-methylcyclohex-3-en-1-yl)methyl]butan-1-amine?
The InChIKey is OZWAZDFZMDUQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-4-5-9-14(3)11-13-8-6-7-12(2)10-13/h6-7,12-13H,4-5,8-11H2,1-3H3.
What are the key properties of N-methyl-N-[(5-methylcyclohex-3-en-1-yl)methyl]butan-1-amine?
N-methyl-N-[(5-methylcyclohex-3-en-1-yl)methyl]butan-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylcyclohex-3-en-1-yl)methyl]butan-1-amine is sourced from PubChem (CID 123491648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).