2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine

C13H31N3 — CID 63725131

IUPAC2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
SMILESCC(C)CNCC(C)N(C)CCCN(C)C
InChIInChI=1S/C13H31N3/c1-12(2)10-14-11-13(3)16(6)9-7-8-15(4)5/h12-14H,7-11H2,1-6H3
InChIKeyZAWBLDUMBKBNGP-UHFFFAOYSA-N
MW229.41 g/mol
LogP1.50
Rot. Bonds9

About 2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine

2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine (PubChem CID 63725131) has the molecular formula C13H31N3 and a molecular weight of 229.41 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
PubChem CID63725131
Molecular FormulaC13H31N3
Molecular Weight229.41 g/mol
Exact Mass229.25
IUPAC Name2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
SMILESCC(C)CNCC(C)N(C)CCCN(C)C
InChIInChI=1S/C13H31N3/c1-12(2)10-14-11-13(3)16(6)9-7-8-15(4)5/h12-14H,7-11H2,1-6H3
InChIKeyZAWBLDUMBKBNGP-UHFFFAOYSA-N
XLogP1.50
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 83054328
2-N-(3-methoxypropyl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 63008851
2-N-[3-(dimethylamino)propyl]-2-N-methylpropane-1,2-diamine
CID 63693592
N,N,N'-trimethyl-N'-[2-(2-methylpropylamino)ethyl]propane-1,3-diamine
CID 63725817
N-[2-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-1-amine
CID 62459512
2-N-[3-(dimethylamino)propyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 55226797
N',N'-dimethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 16772870
4-N-butyl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine
CID 62425136
ethane;1-N,1-N,4-N-trimethyl-4-N-(4-methylpentyl)pentane-1,4-diamine
CID 156821582
CID 175939227
CID 175939227
2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-(3-methylbutyl)propane-1,2-diamine
CID 102997823
1-[3-(dimethylamino)propyl]-1-methyl-3-(2-methylpropyl)thiourea
CID 116508678

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine?
The IUPAC name of 2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine (CID 63725131) is 2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine?
The canonical SMILES for 2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine is CC(C)CNCC(C)N(C)CCCN(C)C.
What is the InChIKey of 2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine?
The InChIKey is ZAWBLDUMBKBNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3/c1-12(2)10-14-11-13(3)16(6)9-7-8-15(4)5/h12-14H,7-11H2,1-6H3.
What are the key properties of 2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine?
2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine has a molecular weight of 229.41 g/mol, XLogP of 1.50, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine is sourced from PubChem (CID 63725131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).