N-[2-(dimethylamino)ethyl]-N,2-dimethyl-N'-propylpropane-1,3-diamine

C12H29N3 — CID 63699519

IUPACN-[2-(dimethylamino)ethyl]-N,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCNCC(C)CN(C)CCN(C)C
InChIInChI=1S/C12H29N3/c1-6-7-13-10-12(2)11-15(5)9-8-14(3)4/h12-13H,6-11H2,1-5H3
InChIKeyDFBQKXBEXUGOQF-UHFFFAOYSA-N
MW215.38 g/mol
LogP1.12
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-N,2-dimethyl-N'-propylpropane-1,3-diamine

N-[2-(dimethylamino)ethyl]-N,2-dimethyl-N'-propylpropane-1,3-diamine (PubChem CID 63699519) has the molecular formula C12H29N3 and a molecular weight of 215.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N,2-dimethyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N,2-dimethyl-N'-propylpropane-1,3-diamine
PubChem CID63699519
Molecular FormulaC12H29N3
Molecular Weight215.38 g/mol
Exact Mass215.24
IUPAC NameN-[2-(dimethylamino)ethyl]-N,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCNCC(C)CN(C)CCN(C)C
InChIInChI=1S/C12H29N3/c1-6-7-13-10-12(2)11-15(5)9-8-14(3)4/h12-13H,6-11H2,1-5H3
InChIKeyDFBQKXBEXUGOQF-UHFFFAOYSA-N
XLogP1.12
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 51.12
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

N,2-dimethyl-N-(2-methylsulfanylethyl)-N'-propylpropane-1,3-diamine
CID 112663777
3-N-[2-(dimethylamino)ethyl]-2-methyl-1-N,3-N-dipropylbutane-1,3-diamine
CID 79409373
2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dipropylpropane-1,2-diamine
CID 62436377
N-ethyl-2-methyl-N,N'-dipropylpropane-1,3-diamine
CID 62420843
N-benzyl-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 62424928
N,2-dimethyl-N'-propyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 62432012
1-[butyl(methyl)amino]-3-(propylamino)propan-2-ol
CID 43165832
N',N'-dimethyl-N-propylethane-1,2-diamine;ethane
CID 134080811
1-cyclopropyl-N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propylethane-1,2-diamine
CID 63912618
N,2-dimethyl-N-(4-methylcyclohexyl)-N'-propylpropane-1,3-diamine
CID 55069274
2-methyl-3-methylsulfanyl-N-propylpropan-1-amine
CID 63981278
N'-methyl-N'-(2-methylpropyl)-N-propylpentane-1,5-diamine
CID 62421110

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N,2-dimethyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N,2-dimethyl-N'-propylpropane-1,3-diamine (CID 63699519) is N-[2-(dimethylamino)ethyl]-N,2-dimethyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N,2-dimethyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N,2-dimethyl-N'-propylpropane-1,3-diamine is CCCNCC(C)CN(C)CCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N,2-dimethyl-N'-propylpropane-1,3-diamine?
The InChIKey is DFBQKXBEXUGOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3/c1-6-7-13-10-12(2)11-15(5)9-8-14(3)4/h12-13H,6-11H2,1-5H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N,2-dimethyl-N'-propylpropane-1,3-diamine?
N-[2-(dimethylamino)ethyl]-N,2-dimethyl-N'-propylpropane-1,3-diamine has a molecular weight of 215.38 g/mol, XLogP of 1.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N,2-dimethyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 63699519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).