N-ethyl-N-methylethanamine;1-phenylheptylbenzene

C24H37N — CID 18402602

IUPACN-ethyl-N-methylethanamine;1-phenylheptylbenzene
SMILESCCCCCCC(c1ccccc1)c1ccccc1.CCN(C)CC
InChIInChI=1S/C19H24.C5H13N/c1-2-3-4-11-16-19(17-12-7-5-8-13-17)18-14-9-6-10-15-18;1-4-6(3)5-2/h5-10,12-15,19H,2-4,11,16H2,1H3;4-5H2,1-3H3
InChIKeyLKGVEFNMHNQTDD-UHFFFAOYSA-N
MW339.57 g/mol
LogP6.75
Rot. Bonds9

About N-ethyl-N-methylethanamine;1-phenylheptylbenzene

N-ethyl-N-methylethanamine;1-phenylheptylbenzene (PubChem CID 18402602) has the molecular formula C24H37N and a molecular weight of 339.57 g/mol. Its IUPAC name is N-ethyl-N-methylethanamine;1-phenylheptylbenzene.

Molecular Properties

Compound NameN-ethyl-N-methylethanamine;1-phenylheptylbenzene
PubChem CID18402602
Molecular FormulaC24H37N
Molecular Weight339.57 g/mol
Exact Mass339.29
IUPAC NameN-ethyl-N-methylethanamine;1-phenylheptylbenzene
SMILESCCCCCCC(c1ccccc1)c1ccccc1.CCN(C)CC
InChIInChI=1S/C19H24.C5H13N/c1-2-3-4-11-16-19(17-12-7-5-8-13-17)18-14-9-6-10-15-18;1-4-6(3)5-2/h5-10,12-15,19H,2-4,11,16H2,1H3;4-5H2,1-3H3
InChIKeyLKGVEFNMHNQTDD-UHFFFAOYSA-N
XLogP6.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.57
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-iodo-4-(1-phenylheptyl)benzene
CID 57089203
N,N-dimethyl-1-phenylheptan-1-amine
CID 67220027
1-phenylheptylphosphane
CID 174874892
N,N-dibutyl-4,4-diphenylbutan-1-amine
CID 3026479
N,N-dimethyl-1-phenylnonan-1-amine;hydrochloride
CID 173276058
N,N-dimethyl-1-phenylheptadecan-1-amine;hydrobromide
CID 173082134
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
N,N-diethyl-1-phenylnonan-1-amine;hydrobromide
CID 175211011
N,N-diethyl-1-phenyltridecan-1-amine;hydrochloride
CID 173104613
2-(1-phenylnonyl)phenol
CID 67177643
N,N-diethyl-1-phenyltetradecan-1-amine;hydrobromide
CID 175213976

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methylethanamine;1-phenylheptylbenzene?
The IUPAC name of N-ethyl-N-methylethanamine;1-phenylheptylbenzene (CID 18402602) is N-ethyl-N-methylethanamine;1-phenylheptylbenzene.
What is the SMILES notation for N-ethyl-N-methylethanamine;1-phenylheptylbenzene?
The canonical SMILES for N-ethyl-N-methylethanamine;1-phenylheptylbenzene is CCCCCCC(c1ccccc1)c1ccccc1.CCN(C)CC.
What is the InChIKey of N-ethyl-N-methylethanamine;1-phenylheptylbenzene?
The InChIKey is LKGVEFNMHNQTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24.C5H13N/c1-2-3-4-11-16-19(17-12-7-5-8-13-17)18-14-9-6-10-15-18;1-4-6(3)5-2/h5-10,12-15,19H,2-4,11,16H2,1H3;4-5H2,1-3H3.
What are the key properties of N-ethyl-N-methylethanamine;1-phenylheptylbenzene?
N-ethyl-N-methylethanamine;1-phenylheptylbenzene has a molecular weight of 339.57 g/mol, XLogP of 6.75, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methylethanamine;1-phenylheptylbenzene is sourced from PubChem (CID 18402602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).