1-N'-ethyl-1-N'-propylethane-1,1,2-triamine

C7H19N3 — CID 178182208

IUPAC1-N'-ethyl-1-N'-propylethane-1,1,2-triamine
SMILESCCCN(CC)C(N)CN
InChIInChI=1S/C7H19N3/c1-3-5-10(4-2)7(9)6-8/h7H,3-6,8-9H2,1-2H3
InChIKeyYOROICXSDCJIBF-UHFFFAOYSA-N
MW145.25 g/mol
LogP-0.04
Rot. Bonds5

About 1-N'-ethyl-1-N'-propylethane-1,1,2-triamine

1-N'-ethyl-1-N'-propylethane-1,1,2-triamine (PubChem CID 178182208) has the molecular formula C7H19N3 and a molecular weight of 145.25 g/mol. Its IUPAC name is 1-N'-ethyl-1-N'-propylethane-1,1,2-triamine.

Molecular Properties

Compound Name1-N'-ethyl-1-N'-propylethane-1,1,2-triamine
PubChem CID178182208
Molecular FormulaC7H19N3
Molecular Weight145.25 g/mol
Exact Mass145.16
IUPAC Name1-N'-ethyl-1-N'-propylethane-1,1,2-triamine
SMILESCCCN(CC)C(N)CN
InChIInChI=1S/C7H19N3/c1-3-5-10(4-2)7(9)6-8/h7H,3-6,8-9H2,1-2H3
InChIKeyYOROICXSDCJIBF-UHFFFAOYSA-N
XLogP-0.04
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-N-ethyl-2-N-propylpropane-1,2-diamine
CID 43268522
3-N-ethyl-3-N-propylbutane-2,3-diamine
CID 61353173
1-cyclopropyl-N-ethyl-N-propylethane-1,2-diamine
CID 43655040
N,N-dipropylbutan-2-amine
CID 524229
3-amino-2-[butyl(ethyl)amino]propan-1-ol
CID 104710797
N-ethyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine
CID 43268554
4-methyl-3-propan-2-yl-2-N,2-N-dipropylpentane-1,2-diamine
CID 114281886
ethane;N-ethyl-N-propylpentan-2-amine
CID 165399602
N,N-dipropylbutan-2-amine;ethane;propane
CID 143577846
N-ethyl-1-(4-ethylphenyl)-N-propylethane-1,2-diamine
CID 43268550
ethane;2-N-ethyl-1-N,1-N-dimethyl-2-N-propylbutane-1,2-diamine
CID 142596203
N-ethyl-1-(furan-2-yl)-N-propylethane-1,2-diamine
CID 43268649

Frequently Asked Questions

What is the IUPAC name of 1-N'-ethyl-1-N'-propylethane-1,1,2-triamine?
The IUPAC name of 1-N'-ethyl-1-N'-propylethane-1,1,2-triamine (CID 178182208) is 1-N'-ethyl-1-N'-propylethane-1,1,2-triamine.
What is the SMILES notation for 1-N'-ethyl-1-N'-propylethane-1,1,2-triamine?
The canonical SMILES for 1-N'-ethyl-1-N'-propylethane-1,1,2-triamine is CCCN(CC)C(N)CN.
What is the InChIKey of 1-N'-ethyl-1-N'-propylethane-1,1,2-triamine?
The InChIKey is YOROICXSDCJIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3/c1-3-5-10(4-2)7(9)6-8/h7H,3-6,8-9H2,1-2H3.
What are the key properties of 1-N'-ethyl-1-N'-propylethane-1,1,2-triamine?
1-N'-ethyl-1-N'-propylethane-1,1,2-triamine has a molecular weight of 145.25 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-ethyl-1-N'-propylethane-1,1,2-triamine is sourced from PubChem (CID 178182208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).