1-N,1-N,1-N',1-N'-tetraethyl-2-N-phenylethane-1,1,2-triamine

C16H29N3 — CID 67748631

IUPAC1-N,1-N,1-N',1-N'-tetraethyl-2-N-phenylethane-1,1,2-triamine
SMILESCCN(CC)C(CNc1ccccc1)N(CC)CC
InChIInChI=1S/C16H29N3/c1-5-18(6-2)16(19(7-3)8-4)14-17-15-12-10-9-11-13-15/h9-13,16-17H,5-8,14H2,1-4H3
InChIKeyCIKBCHJIKZLZAO-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.11
Rot. Bonds9

About 1-N,1-N,1-N',1-N'-tetraethyl-2-N-phenylethane-1,1,2-triamine

1-N,1-N,1-N',1-N'-tetraethyl-2-N-phenylethane-1,1,2-triamine (PubChem CID 67748631) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-N,1-N,1-N',1-N'-tetraethyl-2-N-phenylethane-1,1,2-triamine.

Molecular Properties

Compound Name1-N,1-N,1-N',1-N'-tetraethyl-2-N-phenylethane-1,1,2-triamine
PubChem CID67748631
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1-N,1-N,1-N',1-N'-tetraethyl-2-N-phenylethane-1,1,2-triamine
SMILESCCN(CC)C(CNc1ccccc1)N(CC)CC
InChIInChI=1S/C16H29N3/c1-5-18(6-2)16(19(7-3)8-4)14-17-15-12-10-9-11-13-15/h9-13,16-17H,5-8,14H2,1-4H3
InChIKeyCIKBCHJIKZLZAO-UHFFFAOYSA-N
XLogP3.11
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-N,1-N,1-N',1-N'-tetraethyl-2-N-phenylethane-1,1,2-triamine with MolForge

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Related Compounds

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2-N-(2-anilinoethyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189572
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CID 62582287
1-anilino-3,3-dimethylbutan-2-ol
CID 10607819
(2R)-3-methyl-1-N-phenylbutane-1,2-diamine
CID 89354678
2-N-(3-anilinopropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191837
N-(2-propoxypropyl)aniline
CID 62585259
N-propylaniline
CID 12153

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,1-N',1-N'-tetraethyl-2-N-phenylethane-1,1,2-triamine?
The IUPAC name of 1-N,1-N,1-N',1-N'-tetraethyl-2-N-phenylethane-1,1,2-triamine (CID 67748631) is 1-N,1-N,1-N',1-N'-tetraethyl-2-N-phenylethane-1,1,2-triamine.
What is the SMILES notation for 1-N,1-N,1-N',1-N'-tetraethyl-2-N-phenylethane-1,1,2-triamine?
The canonical SMILES for 1-N,1-N,1-N',1-N'-tetraethyl-2-N-phenylethane-1,1,2-triamine is CCN(CC)C(CNc1ccccc1)N(CC)CC.
What is the InChIKey of 1-N,1-N,1-N',1-N'-tetraethyl-2-N-phenylethane-1,1,2-triamine?
The InChIKey is CIKBCHJIKZLZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-18(6-2)16(19(7-3)8-4)14-17-15-12-10-9-11-13-15/h9-13,16-17H,5-8,14H2,1-4H3.
What are the key properties of 1-N,1-N,1-N',1-N'-tetraethyl-2-N-phenylethane-1,1,2-triamine?
1-N,1-N,1-N',1-N'-tetraethyl-2-N-phenylethane-1,1,2-triamine has a molecular weight of 263.43 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,1-N',1-N'-tetraethyl-2-N-phenylethane-1,1,2-triamine is sourced from PubChem (CID 67748631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).