2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dipropylpropane-1,2-diamine

C13H31N3 — CID 62436377

IUPAC2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dipropylpropane-1,2-diamine
SMILESCCCNCC(C)N(CCC)CCN(C)C
InChIInChI=1S/C13H31N3/c1-6-8-14-12-13(3)16(9-7-2)11-10-15(4)5/h13-14H,6-12H2,1-5H3
InChIKeyNDYDMHJVQSREAE-UHFFFAOYSA-N
MW229.41 g/mol
LogP1.65
Rot. Bonds10

About 2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dipropylpropane-1,2-diamine

2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dipropylpropane-1,2-diamine (PubChem CID 62436377) has the molecular formula C13H31N3 and a molecular weight of 229.41 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dipropylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dipropylpropane-1,2-diamine
PubChem CID62436377
Molecular FormulaC13H31N3
Molecular Weight229.41 g/mol
Exact Mass229.25
IUPAC Name2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dipropylpropane-1,2-diamine
SMILESCCCNCC(C)N(CCC)CCN(C)C
InChIInChI=1S/C13H31N3/c1-6-8-14-12-13(3)16(9-7-2)11-10-15(4)5/h13-14H,6-12H2,1-5H3
InChIKeyNDYDMHJVQSREAE-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 51.65
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

3-N-[2-(dimethylamino)ethyl]-2-methyl-1-N,3-N-dipropylbutane-1,3-diamine
CID 79409373
2-N-[2-(dimethylamino)ethyl]-2-N-propyl-1-N-prop-2-ynylpropane-1,2-diamine
CID 62568171
2-N,2-N-bis(2-methoxyethyl)-1-N-propylpropane-1,2-diamine
CID 62461602
2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)-1-N-pentylpropane-1,2-diamine
CID 62568667
N-[2-(dimethylamino)ethyl]-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 63699519
1-N-cyclopentyl-2-N-[2-(dimethylamino)ethyl]-2-N-propylpropane-1,2-diamine
CID 55087417
4-N-[2-(dimethylamino)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine
CID 62437054
2-N-[2-(dimethylamino)ethyl]-1-N-phenyl-2-N-propylpropane-1,2-diamine
CID 62568173
1-N-tert-butyl-4-N-[2-(dimethylamino)ethyl]-4-N-propylpentane-1,4-diamine
CID 62436896
2-N,2-N-dipropyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62558170
N'-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-N'-propylpropane-1,3-diamine
CID 62436876
1-N,2-N-bis[2-(2-aminoethylsulfanyl)ethyl]-2-N-propylpropane-1,2-diamine;methanethiol
CID 171080543

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dipropylpropane-1,2-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dipropylpropane-1,2-diamine (CID 62436377) is 2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dipropylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dipropylpropane-1,2-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dipropylpropane-1,2-diamine is CCCNCC(C)N(CCC)CCN(C)C.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dipropylpropane-1,2-diamine?
The InChIKey is NDYDMHJVQSREAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3/c1-6-8-14-12-13(3)16(9-7-2)11-10-15(4)5/h13-14H,6-12H2,1-5H3.
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dipropylpropane-1,2-diamine?
2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dipropylpropane-1,2-diamine has a molecular weight of 229.41 g/mol, XLogP of 1.65, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dipropylpropane-1,2-diamine is sourced from PubChem (CID 62436377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).