2-ethyl-N,2-dimethyl-N-phenyl-N'-propylpropane-1,3-diamine

C16H28N2 — CID 62261498

IUPAC2-ethyl-N,2-dimethyl-N-phenyl-N'-propylpropane-1,3-diamine
SMILESCCCNCC(C)(CC)CN(C)c1ccccc1
InChIInChI=1S/C16H28N2/c1-5-12-17-13-16(3,6-2)14-18(4)15-10-8-7-9-11-15/h7-11,17H,5-6,12-14H2,1-4H3
InChIKeyDJBROMWXQBQUEV-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.54
Rot. Bonds8

About 2-ethyl-N,2-dimethyl-N-phenyl-N'-propylpropane-1,3-diamine

2-ethyl-N,2-dimethyl-N-phenyl-N'-propylpropane-1,3-diamine (PubChem CID 62261498) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-ethyl-N,2-dimethyl-N-phenyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N,2-dimethyl-N-phenyl-N'-propylpropane-1,3-diamine
PubChem CID62261498
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name2-ethyl-N,2-dimethyl-N-phenyl-N'-propylpropane-1,3-diamine
SMILESCCCNCC(C)(CC)CN(C)c1ccccc1
InChIInChI=1S/C16H28N2/c1-5-12-17-13-16(3,6-2)14-18(4)15-10-8-7-9-11-15/h7-11,17H,5-6,12-14H2,1-4H3
InChIKeyDJBROMWXQBQUEV-UHFFFAOYSA-N
XLogP3.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethyl-N-phenyl-N',2-dipropylpropane-1,3-diamine
CID 63483398
2-ethyl-N-(4-ethylphenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 63495384
2-ethyl-N,2-dimethyl-N'-propyl-N-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 62257313
N,N',2-triethyl-2-methyl-N'-phenylpropane-1,3-diamine
CID 62264174
2-ethyl-N,2-dimethyl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62256448
N,2,2-triethyl-N-phenyl-N'-propylpropane-1,3-diamine
CID 63481796
1-N,2-dimethyl-1-N-phenylbutane-1,2-diamine
CID 79810832
N-[(3-bromophenyl)methyl]-2-ethyl-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 63494839
2-[(2-chlorophenyl)methyl]-2-methyl-N-propylbutan-1-amine
CID 63509342
N-(4-methoxyphenyl)-N,2,2-trimethyl-N'-propylpropane-1,3-diamine
CID 62258901
N-[1-(3-chlorophenyl)ethyl]-2-ethyl-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 63494918
N,2-diethyl-2-methyl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62259654

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,2-dimethyl-N-phenyl-N'-propylpropane-1,3-diamine?
The IUPAC name of 2-ethyl-N,2-dimethyl-N-phenyl-N'-propylpropane-1,3-diamine (CID 62261498) is 2-ethyl-N,2-dimethyl-N-phenyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N,2-dimethyl-N-phenyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for 2-ethyl-N,2-dimethyl-N-phenyl-N'-propylpropane-1,3-diamine is CCCNCC(C)(CC)CN(C)c1ccccc1.
What is the InChIKey of 2-ethyl-N,2-dimethyl-N-phenyl-N'-propylpropane-1,3-diamine?
The InChIKey is DJBROMWXQBQUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-12-17-13-16(3,6-2)14-18(4)15-10-8-7-9-11-15/h7-11,17H,5-6,12-14H2,1-4H3.
What are the key properties of 2-ethyl-N,2-dimethyl-N-phenyl-N'-propylpropane-1,3-diamine?
2-ethyl-N,2-dimethyl-N-phenyl-N'-propylpropane-1,3-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,2-dimethyl-N-phenyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 62261498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).