1-N-ethyl-2-N,2-N,2-trimethyl-1-[3-(2-methylpropyl)phenyl]butane-1,2-diamine

C19H34N2 — CID 116544670

IUPAC1-N-ethyl-2-N,2-N,2-trimethyl-1-[3-(2-methylpropyl)phenyl]butane-1,2-diamine
SMILESCCNC(c1cccc(CC(C)C)c1)C(C)(CC)N(C)C
InChIInChI=1S/C19H34N2/c1-8-19(5,21(6)7)18(20-9-2)17-12-10-11-16(14-17)13-15(3)4/h10-12,14-15,18,20H,8-9,13H2,1-7H3
InChIKeyUQYWTBOMXXGRGK-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.27
Rot. Bonds8

About 1-N-ethyl-2-N,2-N,2-trimethyl-1-[3-(2-methylpropyl)phenyl]butane-1,2-diamine

1-N-ethyl-2-N,2-N,2-trimethyl-1-[3-(2-methylpropyl)phenyl]butane-1,2-diamine (PubChem CID 116544670) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 1-N-ethyl-2-N,2-N,2-trimethyl-1-[3-(2-methylpropyl)phenyl]butane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-N,2-N,2-trimethyl-1-[3-(2-methylpropyl)phenyl]butane-1,2-diamine
PubChem CID116544670
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name1-N-ethyl-2-N,2-N,2-trimethyl-1-[3-(2-methylpropyl)phenyl]butane-1,2-diamine
SMILESCCNC(c1cccc(CC(C)C)c1)C(C)(CC)N(C)C
InChIInChI=1S/C19H34N2/c1-8-19(5,21(6)7)18(20-9-2)17-12-10-11-16(14-17)13-15(3)4/h10-12,14-15,18,20H,8-9,13H2,1-7H3
InChIKeyUQYWTBOMXXGRGK-UHFFFAOYSA-N
XLogP4.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-ethyl-2-N,2-N,2-trimethyl-1-phenylbutane-1,2-diamine
CID 79063158
2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]-N-propylbutan-1-amine
CID 105050880
N-ethyl-3,4,4-trimethyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine
CID 105050615
N-ethyl-3-methoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 103029466
N-[(3-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116543854
N-ethyl-3-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine
CID 105050715
N-ethyl-3-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116546419
N-[furan-2-yl-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544236
N-ethyl-1-[3-(2-methylpropyl)phenyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216427
N-[(2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544290
N-[(2-bromophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544140
N-ethyl-1-[3-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanamine
CID 116544214

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-N,2-N,2-trimethyl-1-[3-(2-methylpropyl)phenyl]butane-1,2-diamine?
The IUPAC name of 1-N-ethyl-2-N,2-N,2-trimethyl-1-[3-(2-methylpropyl)phenyl]butane-1,2-diamine (CID 116544670) is 1-N-ethyl-2-N,2-N,2-trimethyl-1-[3-(2-methylpropyl)phenyl]butane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-2-N,2-N,2-trimethyl-1-[3-(2-methylpropyl)phenyl]butane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-2-N,2-N,2-trimethyl-1-[3-(2-methylpropyl)phenyl]butane-1,2-diamine is CCNC(c1cccc(CC(C)C)c1)C(C)(CC)N(C)C.
What is the InChIKey of 1-N-ethyl-2-N,2-N,2-trimethyl-1-[3-(2-methylpropyl)phenyl]butane-1,2-diamine?
The InChIKey is UQYWTBOMXXGRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-8-19(5,21(6)7)18(20-9-2)17-12-10-11-16(14-17)13-15(3)4/h10-12,14-15,18,20H,8-9,13H2,1-7H3.
What are the key properties of 1-N-ethyl-2-N,2-N,2-trimethyl-1-[3-(2-methylpropyl)phenyl]butane-1,2-diamine?
1-N-ethyl-2-N,2-N,2-trimethyl-1-[3-(2-methylpropyl)phenyl]butane-1,2-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-N,2-N,2-trimethyl-1-[3-(2-methylpropyl)phenyl]butane-1,2-diamine is sourced from PubChem (CID 116544670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).