2-N-(3-anilinopropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

C16H29N3 — CID 103191837

IUPAC2-N-(3-anilinopropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(CCCNc1ccccc1)C(C)CN(C)C
InChIInChI=1S/C16H29N3/c1-5-19(15(2)14-18(3)4)13-9-12-17-16-10-7-6-8-11-16/h6-8,10-11,15,17H,5,9,12-14H2,1-4H3
InChIKeyPCWZQSKKWKQDLK-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.76
Rot. Bonds9

About 2-N-(3-anilinopropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

2-N-(3-anilinopropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103191837) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-N-(3-anilinopropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-anilinopropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103191837
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2-N-(3-anilinopropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(CCCNc1ccccc1)C(C)CN(C)C
InChIInChI=1S/C16H29N3/c1-5-19(15(2)14-18(3)4)13-9-12-17-16-10-7-6-8-11-16/h6-8,10-11,15,17H,5,9,12-14H2,1-4H3
InChIKeyPCWZQSKKWKQDLK-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-(2-anilinoethyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189572
2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(3-methylanilino)ethyl]propane-1,2-diamine
CID 103191842
N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-phenylpropane-1,3-diamine
CID 62570612
N'-methyl-N'-(3-methylbutyl)-N-phenylpropane-1,3-diamine
CID 62563455
2-N-[2-(2-chloroanilino)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191788
N'-(1-methoxypropan-2-yl)-N'-methyl-N-phenylpropane-1,3-diamine
CID 62568765
N',N'-bis(2-methylpropyl)-N-phenylethane-1,2-diamine
CID 61378856
N'-(2-anilinoethyl)-N,N,N'-triethylpropane-1,3-diamine
CID 102994521
3-[1-(dimethylamino)propan-2-yl-ethylamino]propane-1-thiol
CID 103192376
N'-butan-2-yl-N'-ethyl-N-(3-methylphenyl)pentane-1,5-diamine
CID 20728490
N-(18-methylnonadecyl)aniline;hydrochloride
CID 173012868
N'-ethyl-N'-(2-methylphenyl)-N-phenylpropane-1,3-diamine
CID 63503025

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-anilinopropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(3-anilinopropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (CID 103191837) is 2-N-(3-anilinopropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(3-anilinopropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(3-anilinopropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is CCN(CCCNc1ccccc1)C(C)CN(C)C.
What is the InChIKey of 2-N-(3-anilinopropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is PCWZQSKKWKQDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-19(15(2)14-18(3)4)13-9-12-17-16-10-7-6-8-11-16/h6-8,10-11,15,17H,5,9,12-14H2,1-4H3.
What are the key properties of 2-N-(3-anilinopropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-(3-anilinopropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 263.43 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-anilinopropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103191837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).