N'-(2,2-dimethylpropyl)-N-ethyl-N',2-dimethyl-1-phenylpropane-1,3-diamine

C18H32N2 — CID 62617594

IUPACN'-(2,2-dimethylpropyl)-N-ethyl-N',2-dimethyl-1-phenylpropane-1,3-diamine
SMILESCCNC(c1ccccc1)C(C)CN(C)CC(C)(C)C
InChIInChI=1S/C18H32N2/c1-7-19-17(16-11-9-8-10-12-16)15(2)13-20(6)14-18(3,4)5/h8-12,15,17,19H,7,13-14H2,1-6H3
InChIKeyOBKAIFQUTMLHDF-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.95
Rot. Bonds7

About N'-(2,2-dimethylpropyl)-N-ethyl-N',2-dimethyl-1-phenylpropane-1,3-diamine

N'-(2,2-dimethylpropyl)-N-ethyl-N',2-dimethyl-1-phenylpropane-1,3-diamine (PubChem CID 62617594) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N'-(2,2-dimethylpropyl)-N-ethyl-N',2-dimethyl-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2,2-dimethylpropyl)-N-ethyl-N',2-dimethyl-1-phenylpropane-1,3-diamine
PubChem CID62617594
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN'-(2,2-dimethylpropyl)-N-ethyl-N',2-dimethyl-1-phenylpropane-1,3-diamine
SMILESCCNC(c1ccccc1)C(C)CN(C)CC(C)(C)C
InChIInChI=1S/C18H32N2/c1-7-19-17(16-11-9-8-10-12-16)15(2)13-20(6)14-18(3,4)5/h8-12,15,17,19H,7,13-14H2,1-6H3
InChIKeyOBKAIFQUTMLHDF-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-(ethylamino)-2-methyl-3-phenylpropyl]-methylamino]propan-2-ol
CID 62618624
N,N'-diethyl-2-methyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62619592
N-ethyl-N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylpropane-1,3-diamine
CID 115987569
N'-ethyl-N,N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62619239
N,N',2-trimethyl-N'-(2-methylbutyl)-1-phenylpropane-1,3-diamine
CID 62619073
1-N-ethyl-2-N,3-dimethyl-2-N-(2-methylbutan-2-yl)-1-phenylbutane-1,2-diamine
CID 63983572
1-[[3-(ethylamino)-2,2-dimethyl-3-phenylpropyl]-methylamino]propan-2-ol
CID 63193468
N',N',2-trimethyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62618719
2-[[3-(ethylamino)-2-methyl-3-phenylpropyl]-propylamino]ethanol
CID 62618086
2-[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]ethanol
CID 55098990
N'-cyclopentyl-N,N'-diethyl-2-methyl-1-phenylpropane-1,3-diamine
CID 62617718
N,N',N',2-tetramethyl-1-phenylpropane-1,3-diamine
CID 62618717

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-dimethylpropyl)-N-ethyl-N',2-dimethyl-1-phenylpropane-1,3-diamine?
The IUPAC name of N'-(2,2-dimethylpropyl)-N-ethyl-N',2-dimethyl-1-phenylpropane-1,3-diamine (CID 62617594) is N'-(2,2-dimethylpropyl)-N-ethyl-N',2-dimethyl-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-(2,2-dimethylpropyl)-N-ethyl-N',2-dimethyl-1-phenylpropane-1,3-diamine?
The canonical SMILES for N'-(2,2-dimethylpropyl)-N-ethyl-N',2-dimethyl-1-phenylpropane-1,3-diamine is CCNC(c1ccccc1)C(C)CN(C)CC(C)(C)C.
What is the InChIKey of N'-(2,2-dimethylpropyl)-N-ethyl-N',2-dimethyl-1-phenylpropane-1,3-diamine?
The InChIKey is OBKAIFQUTMLHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-7-19-17(16-11-9-8-10-12-16)15(2)13-20(6)14-18(3,4)5/h8-12,15,17,19H,7,13-14H2,1-6H3.
What are the key properties of N'-(2,2-dimethylpropyl)-N-ethyl-N',2-dimethyl-1-phenylpropane-1,3-diamine?
N'-(2,2-dimethylpropyl)-N-ethyl-N',2-dimethyl-1-phenylpropane-1,3-diamine has a molecular weight of 276.47 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-dimethylpropyl)-N-ethyl-N',2-dimethyl-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 62617594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).