N'-[3-(N,2-dimethylanilino)propyl]-N,N,N'-trimethylpropane-1,3-diamine

C17H31N3 — CID 69433807

IUPACN'-[3-(N,2-dimethylanilino)propyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCc1ccccc1N(C)CCCN(C)CCCN(C)C
InChIInChI=1S/C17H31N3/c1-16-10-6-7-11-17(16)20(5)15-9-14-19(4)13-8-12-18(2)3/h6-7,10-11H,8-9,12-15H2,1-5H3
InChIKeyFFFLXLVDSLHEEM-UHFFFAOYSA-N
MW277.46 g/mol
LogP2.70
Rot. Bonds9

About N'-[3-(N,2-dimethylanilino)propyl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[3-(N,2-dimethylanilino)propyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 69433807) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N'-[3-(N,2-dimethylanilino)propyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(N,2-dimethylanilino)propyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID69433807
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN'-[3-(N,2-dimethylanilino)propyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCc1ccccc1N(C)CCCN(C)CCCN(C)C
InChIInChI=1S/C17H31N3/c1-16-10-6-7-11-17(16)20(5)15-9-14-19(4)13-8-12-18(2)3/h6-7,10-11H,8-9,12-15H2,1-5H3
InChIKeyFFFLXLVDSLHEEM-UHFFFAOYSA-N
XLogP2.70
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(N,2-dimethylanilino)propyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[3-(N,2-dimethylanilino)propyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 69433807) is N'-[3-(N,2-dimethylanilino)propyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[3-(N,2-dimethylanilino)propyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[3-(N,2-dimethylanilino)propyl]-N,N,N'-trimethylpropane-1,3-diamine is Cc1ccccc1N(C)CCCN(C)CCCN(C)C.
What is the InChIKey of N'-[3-(N,2-dimethylanilino)propyl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is FFFLXLVDSLHEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-16-10-6-7-11-17(16)20(5)15-9-14-19(4)13-8-12-18(2)3/h6-7,10-11H,8-9,12-15H2,1-5H3.
What are the key properties of N'-[3-(N,2-dimethylanilino)propyl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[3-(N,2-dimethylanilino)propyl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 277.46 g/mol, XLogP of 2.70, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(N,2-dimethylanilino)propyl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 69433807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).