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

C17H30N2 — CID 55195781

IUPACN-ethyl-2,2-dimethyl-N'-(2-methylpropyl)-N-phenylpropane-1,3-diamine
SMILESCCN(CC(C)(C)CNCC(C)C)c1ccccc1
InChIInChI=1S/C17H30N2/c1-6-19(16-10-8-7-9-11-16)14-17(4,5)13-18-12-15(2)3/h7-11,15,18H,6,12-14H2,1-5H3
InChIKeyZQJHVDLZWRGZMB-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.78
Rot. Bonds8

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

N-ethyl-2,2-dimethyl-N'-(2-methylpropyl)-N-phenylpropane-1,3-diamine (PubChem CID 55195781) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-N'-(2-methylpropyl)-N-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-N'-(2-methylpropyl)-N-phenylpropane-1,3-diamine
PubChem CID55195781
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-ethyl-2,2-dimethyl-N'-(2-methylpropyl)-N-phenylpropane-1,3-diamine
SMILESCCN(CC(C)(C)CNCC(C)C)c1ccccc1
InChIInChI=1S/C17H30N2/c1-6-19(16-10-8-7-9-11-16)14-17(4,5)13-18-12-15(2)3/h7-11,15,18H,6,12-14H2,1-5H3
InChIKeyZQJHVDLZWRGZMB-UHFFFAOYSA-N
XLogP3.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N',2-triethyl-2-methyl-N'-phenylpropane-1,3-diamine
CID 62264174
N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63494911
N-ethyl-N-(3-fluorophenyl)-2,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62257454
N-benzyl-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63482890
N,N-diethylaniline
CID 7061
N,2,2-triethyl-N-phenyl-N'-propylpropane-1,3-diamine
CID 63481796
N-butyl-N',2,2-trimethyl-N-phenylpropane-1,3-diamine
CID 64586402
N-ethyl-2,2-dimethyl-N-(2-methylprop-2-enyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 79619526
N,2,2-trimethyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 62261892
2-[ethyl-[2-methyl-3-(2-methylpropylamino)-2-phenylpropyl]amino]ethanol
CID 62258274
N-ethyl-N-(2,2,3,3-tetrafluoropropyl)aniline
CID 12696961
2-ethyl-N-(2-methylpropyl)-2-phenylbutan-1-amine
CID 62594549

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-N'-(2-methylpropyl)-N-phenylpropane-1,3-diamine?
The IUPAC name of N-ethyl-2,2-dimethyl-N'-(2-methylpropyl)-N-phenylpropane-1,3-diamine (CID 55195781) is N-ethyl-2,2-dimethyl-N'-(2-methylpropyl)-N-phenylpropane-1,3-diamine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-N'-(2-methylpropyl)-N-phenylpropane-1,3-diamine?
The canonical SMILES for N-ethyl-2,2-dimethyl-N'-(2-methylpropyl)-N-phenylpropane-1,3-diamine is CCN(CC(C)(C)CNCC(C)C)c1ccccc1.
What is the InChIKey of N-ethyl-2,2-dimethyl-N'-(2-methylpropyl)-N-phenylpropane-1,3-diamine?
The InChIKey is ZQJHVDLZWRGZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-19(16-10-8-7-9-11-16)14-17(4,5)13-18-12-15(2)3/h7-11,15,18H,6,12-14H2,1-5H3.
What are the key properties of N-ethyl-2,2-dimethyl-N'-(2-methylpropyl)-N-phenylpropane-1,3-diamine?
N-ethyl-2,2-dimethyl-N'-(2-methylpropyl)-N-phenylpropane-1,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-N'-(2-methylpropyl)-N-phenylpropane-1,3-diamine is sourced from PubChem (CID 55195781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).