N-[di(cyclohex-2-en-1-yl)methyl]-N-methylethanamine

C16H27N — CID 123507209

IUPACN-[di(cyclohex-2-en-1-yl)methyl]-N-methylethanamine
SMILESCCN(C)C(C1C=CCCC1)C1C=CCCC1
InChIInChI=1S/C16H27N/c1-3-17(2)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h6,8,10,12,14-16H,3-5,7,9,11,13H2,1-2H3
InChIKeyZFLHYQUNMIZFFG-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.02
Rot. Bonds4

About N-[di(cyclohex-2-en-1-yl)methyl]-N-methylethanamine

N-[di(cyclohex-2-en-1-yl)methyl]-N-methylethanamine (PubChem CID 123507209) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-[di(cyclohex-2-en-1-yl)methyl]-N-methylethanamine.

Molecular Properties

Compound NameN-[di(cyclohex-2-en-1-yl)methyl]-N-methylethanamine
PubChem CID123507209
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-[di(cyclohex-2-en-1-yl)methyl]-N-methylethanamine
SMILESCCN(C)C(C1C=CCCC1)C1C=CCCC1
InChIInChI=1S/C16H27N/c1-3-17(2)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h6,8,10,12,14-16H,3-5,7,9,11,13H2,1-2H3
InChIKeyZFLHYQUNMIZFFG-UHFFFAOYSA-N
XLogP4.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.02
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

Ethylamine, 2-(2-cyclopentenyl)-N,N,1-trimethyl-
CID 49664
3-Cyclohexene-1-methylamine, N,N-diethyl-, hydrochloride
CID 200463
3-Cyclohexene-1-methylamine, N-cyclopropyl-N-methyl-
CID 204472
1-Methyl-1-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]piperidinium
CID 3122280
(1R,5S)-2-methyl-2-azabicyclo[3.3.1]non-6-ene
CID 90677949
N,N-diethyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine
CID 11117679
1-(4-Prop-1-en-2-ylcyclohex-2-en-1-yl)piperidine
CID 12485228
1-(6-Prop-1-en-2-ylcyclohex-2-en-1-yl)piperidine
CID 12485229
1,2-dilinoleyl-N,N-dimethyl-3-aminopropane
CID 139600217
1-(Cyclohex-3-en-1-ylmethyl)-4-(pentan-3-yl)piperazine
CID 3150616
N,N-diethyl-4-[2-(2-fluorocyclohex-3-en-1-yl)ethyl]cyclohexen-1-amine
CID 89985331
4-(2-fluorocyclohex-3-en-1-yl)-N-methyl-N-propylbutan-2-amine
CID 89985334

Frequently Asked Questions

What is the IUPAC name of N-[di(cyclohex-2-en-1-yl)methyl]-N-methylethanamine?
The IUPAC name of N-[di(cyclohex-2-en-1-yl)methyl]-N-methylethanamine (CID 123507209) is N-[di(cyclohex-2-en-1-yl)methyl]-N-methylethanamine.
What is the SMILES notation for N-[di(cyclohex-2-en-1-yl)methyl]-N-methylethanamine?
The canonical SMILES for N-[di(cyclohex-2-en-1-yl)methyl]-N-methylethanamine is CCN(C)C(C1C=CCCC1)C1C=CCCC1.
What is the InChIKey of N-[di(cyclohex-2-en-1-yl)methyl]-N-methylethanamine?
The InChIKey is ZFLHYQUNMIZFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-3-17(2)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h6,8,10,12,14-16H,3-5,7,9,11,13H2,1-2H3.
What are the key properties of N-[di(cyclohex-2-en-1-yl)methyl]-N-methylethanamine?
N-[di(cyclohex-2-en-1-yl)methyl]-N-methylethanamine has a molecular weight of 233.40 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[di(cyclohex-2-en-1-yl)methyl]-N-methylethanamine is sourced from PubChem (CID 123507209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).