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

C9H23N3 — CID 63693592

IUPAC2-N-[3-(dimethylamino)propyl]-2-N-methylpropane-1,2-diamine
SMILESCC(CN)N(C)CCCN(C)C
InChIInChI=1S/C9H23N3/c1-9(8-10)12(4)7-5-6-11(2)3/h9H,5-8,10H2,1-4H3
InChIKeyZFLMJVNPKYPWMR-UHFFFAOYSA-N
MW173.30 g/mol
LogP0.22
Rot. Bonds6

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

2-N-[3-(dimethylamino)propyl]-2-N-methylpropane-1,2-diamine (PubChem CID 63693592) has the molecular formula C9H23N3 and a molecular weight of 173.30 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)propyl]-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)propyl]-2-N-methylpropane-1,2-diamine
PubChem CID63693592
Molecular FormulaC9H23N3
Molecular Weight173.30 g/mol
Exact Mass173.19
IUPAC Name2-N-[3-(dimethylamino)propyl]-2-N-methylpropane-1,2-diamine
SMILESCC(CN)N(C)CCCN(C)C
InChIInChI=1S/C9H23N3/c1-9(8-10)12(4)7-5-6-11(2)3/h9H,5-8,10H2,1-4H3
InChIKeyZFLMJVNPKYPWMR-UHFFFAOYSA-N
XLogP0.22
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-dodecyl-2-N-methylpropane-1,2-diamine
CID 104556816
2-N-[3-(dimethylamino)propyl]-2-N,3-dimethylpentane-1,2-diamine
CID 63693434
2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 63725131
3-[3-(dimethylamino)propyl-methylamino]butanoic acid
CID 63693695
methyl 4-[1-aminopropan-2-yl(methyl)amino]butanoate
CID 63382982
4-[1-aminopropan-2-yl(methyl)amino]-N-methylbutanamide
CID 104556890
ethane;1-N,1-N,4-N-trimethyl-4-N-(4-methylpentyl)pentane-1,4-diamine
CID 156821582
2-[3-(dimethylamino)propyl-methylamino]propanamide
CID 63698900
N'-[3-(dimethylamino)propyl]-N',2-dimethylpentane-1,5-diamine
CID 82017008
1-aminopropan-2-ol;1-[bis[3-(dimethylamino)propyl]amino]propan-2-ol
CID 174950006
2-N-[3-(dimethylamino)propyl]-4,4-dimethoxy-2-N-methylbutane-1,2-diamine
CID 66268623
3-N-[3-(dimethylamino)propyl]-2-N-ethyl-3-N-methylbutane-2,3-diamine
CID 63695556

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)propyl]-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-[3-(dimethylamino)propyl]-2-N-methylpropane-1,2-diamine (CID 63693592) is 2-N-[3-(dimethylamino)propyl]-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[3-(dimethylamino)propyl]-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-[3-(dimethylamino)propyl]-2-N-methylpropane-1,2-diamine is CC(CN)N(C)CCCN(C)C.
What is the InChIKey of 2-N-[3-(dimethylamino)propyl]-2-N-methylpropane-1,2-diamine?
The InChIKey is ZFLMJVNPKYPWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3/c1-9(8-10)12(4)7-5-6-11(2)3/h9H,5-8,10H2,1-4H3.
What are the key properties of 2-N-[3-(dimethylamino)propyl]-2-N-methylpropane-1,2-diamine?
2-N-[3-(dimethylamino)propyl]-2-N-methylpropane-1,2-diamine has a molecular weight of 173.30 g/mol, XLogP of 0.22, 6 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-methylpropane-1,2-diamine is sourced from PubChem (CID 63693592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).