N-[3-(dimethylamino)propyl]-N,2,2-triethyl-N'-methylpropane-1,3-diamine

C15H35N3 — CID 102997134

IUPACN-[3-(dimethylamino)propyl]-N,2,2-triethyl-N'-methylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)CC(CC)(CC)CNC
InChIInChI=1S/C15H35N3/c1-7-15(8-2,13-16-4)14-18(9-3)12-10-11-17(5)6/h16H,7-14H2,1-6H3
InChIKeyAXRPVDNKBFCGFY-UHFFFAOYSA-N
MW257.47 g/mol
LogP2.29
Rot. Bonds11

About N-[3-(dimethylamino)propyl]-N,2,2-triethyl-N'-methylpropane-1,3-diamine

N-[3-(dimethylamino)propyl]-N,2,2-triethyl-N'-methylpropane-1,3-diamine (PubChem CID 102997134) has the molecular formula C15H35N3 and a molecular weight of 257.47 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N,2,2-triethyl-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N,2,2-triethyl-N'-methylpropane-1,3-diamine
PubChem CID102997134
Molecular FormulaC15H35N3
Molecular Weight257.47 g/mol
Exact Mass257.28
IUPAC NameN-[3-(dimethylamino)propyl]-N,2,2-triethyl-N'-methylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)CC(CC)(CC)CNC
InChIInChI=1S/C15H35N3/c1-7-15(8-2,13-16-4)14-18(9-3)12-10-11-17(5)6/h16H,7-14H2,1-6H3
InChIKeyAXRPVDNKBFCGFY-UHFFFAOYSA-N
XLogP2.29
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.47
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N,2,2-triethyl-N'-methylpropane-1,3-diamine?
The IUPAC name of N-[3-(dimethylamino)propyl]-N,2,2-triethyl-N'-methylpropane-1,3-diamine (CID 102997134) is N-[3-(dimethylamino)propyl]-N,2,2-triethyl-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N,2,2-triethyl-N'-methylpropane-1,3-diamine?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N,2,2-triethyl-N'-methylpropane-1,3-diamine is CCN(CCCN(C)C)CC(CC)(CC)CNC.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N,2,2-triethyl-N'-methylpropane-1,3-diamine?
The InChIKey is AXRPVDNKBFCGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35N3/c1-7-15(8-2,13-16-4)14-18(9-3)12-10-11-17(5)6/h16H,7-14H2,1-6H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N,2,2-triethyl-N'-methylpropane-1,3-diamine?
N-[3-(dimethylamino)propyl]-N,2,2-triethyl-N'-methylpropane-1,3-diamine has a molecular weight of 257.47 g/mol, XLogP of 2.29, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N,2,2-triethyl-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 102997134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).