N-benzyl-N-methylethanamine;N,N-dimethylethanamine;ethane

C18H38N2 — CID 159486837

IUPACN-benzyl-N-methylethanamine;N,N-dimethylethanamine;ethane
SMILESCC.CC.CCN(C)C.CCN(C)Cc1ccccc1
InChIInChI=1S/C10H15N.C4H11N.2C2H6/c1-3-11(2)9-10-7-5-4-6-8-10;1-4-5(2)3;2*1-2/h4-8H,3,9H2,1-2H3;4H2,1-3H3;2*1-2H3
InChIKeyLXROAPIURRZUKD-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.76
Rot. Bonds4

About N-benzyl-N-methylethanamine;N,N-dimethylethanamine;ethane

N-benzyl-N-methylethanamine;N,N-dimethylethanamine;ethane (PubChem CID 159486837) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is N-benzyl-N-methylethanamine;N,N-dimethylethanamine;ethane.

Molecular Properties

Compound NameN-benzyl-N-methylethanamine;N,N-dimethylethanamine;ethane
PubChem CID159486837
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC NameN-benzyl-N-methylethanamine;N,N-dimethylethanamine;ethane
SMILESCC.CC.CCN(C)C.CCN(C)Cc1ccccc1
InChIInChI=1S/C10H15N.C4H11N.2C2H6/c1-3-11(2)9-10-7-5-4-6-8-10;1-4-5(2)3;2*1-2/h4-8H,3,9H2,1-2H3;4H2,1-3H3;2*1-2H3
InChIKeyLXROAPIURRZUKD-UHFFFAOYSA-N
XLogP4.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-phenylmethanamine;N-ethyl-N-methylethanamine
CID 154948707
N-benzyl-N-methylethanamine;N-methyl-1-phenylmethanamine
CID 142094869
benzene;N,N-dimethyl-1-phenylmethanamine;ethane
CID 90785154
1-[benzyl(methyl)amino]-3-[ethyl(methyl)amino]propan-2-ol
CID 110929931
N,N-dimethyl-1-phenylmethanamine;hydrobromide
CID 71398520
N,N-dimethyl-1-phenylmethanamine;phosphane
CID 174524909
N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride
CID 172854351
N-benzyl-N-ethylethanamine;ethene
CID 174895763
N-benzyl-N-ethylethanamine;methanethiol
CID 142975470
N,N-dimethyl-1-phenylmethanamine;ethane;N-methylmethanamine
CID 91426963
N'-benzyl-N-[2-(diethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 62574688
N,N-dimethyl-1-phenylmethanamine;gold(3+);dichloride
CID 71592559

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methylethanamine;N,N-dimethylethanamine;ethane?
The IUPAC name of N-benzyl-N-methylethanamine;N,N-dimethylethanamine;ethane (CID 159486837) is N-benzyl-N-methylethanamine;N,N-dimethylethanamine;ethane.
What is the SMILES notation for N-benzyl-N-methylethanamine;N,N-dimethylethanamine;ethane?
The canonical SMILES for N-benzyl-N-methylethanamine;N,N-dimethylethanamine;ethane is CC.CC.CCN(C)C.CCN(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methylethanamine;N,N-dimethylethanamine;ethane?
The InChIKey is LXROAPIURRZUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C4H11N.2C2H6/c1-3-11(2)9-10-7-5-4-6-8-10;1-4-5(2)3;2*1-2/h4-8H,3,9H2,1-2H3;4H2,1-3H3;2*1-2H3.
What are the key properties of N-benzyl-N-methylethanamine;N,N-dimethylethanamine;ethane?
N-benzyl-N-methylethanamine;N,N-dimethylethanamine;ethane has a molecular weight of 282.52 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methylethanamine;N,N-dimethylethanamine;ethane is sourced from PubChem (CID 159486837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).