2-ethylpropane-1,3-diamine;dihydrochloride

C5H16Cl2N2 — CID 18961239

IUPAC2-ethylpropane-1,3-diamine;dihydrochloride
SMILESCCC(CN)CN.Cl.Cl
InChIInChI=1S/C5H14N2.2ClH/c1-2-5(3-6)4-7;;/h5H,2-4,6-7H2,1H3;2*1H
InChIKeyNNQJMOQKZRCZQB-UHFFFAOYSA-N
MW175.10 g/mol
LogP0.77
Rot. Bonds3

About 2-ethylpropane-1,3-diamine;dihydrochloride

2-ethylpropane-1,3-diamine;dihydrochloride (PubChem CID 18961239) has the molecular formula C5H16Cl2N2 and a molecular weight of 175.10 g/mol. Its IUPAC name is 2-ethylpropane-1,3-diamine;dihydrochloride.

Molecular Properties

Compound Name2-ethylpropane-1,3-diamine;dihydrochloride
PubChem CID18961239
Molecular FormulaC5H16Cl2N2
Molecular Weight175.10 g/mol
Exact Mass174.07
IUPAC Name2-ethylpropane-1,3-diamine;dihydrochloride
SMILESCCC(CN)CN.Cl.Cl
InChIInChI=1S/C5H14N2.2ClH/c1-2-5(3-6)4-7;;/h5H,2-4,6-7H2,1H3;2*1H
InChIKeyNNQJMOQKZRCZQB-UHFFFAOYSA-N
XLogP0.77
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.10
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylpropane-1,3-diamine;dihydrochloride?
The IUPAC name of 2-ethylpropane-1,3-diamine;dihydrochloride (CID 18961239) is 2-ethylpropane-1,3-diamine;dihydrochloride.
What is the SMILES notation for 2-ethylpropane-1,3-diamine;dihydrochloride?
The canonical SMILES for 2-ethylpropane-1,3-diamine;dihydrochloride is CCC(CN)CN.Cl.Cl.
What is the InChIKey of 2-ethylpropane-1,3-diamine;dihydrochloride?
The InChIKey is NNQJMOQKZRCZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2.2ClH/c1-2-5(3-6)4-7;;/h5H,2-4,6-7H2,1H3;2*1H.
What are the key properties of 2-ethylpropane-1,3-diamine;dihydrochloride?
2-ethylpropane-1,3-diamine;dihydrochloride has a molecular weight of 175.10 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpropane-1,3-diamine;dihydrochloride is sourced from PubChem (CID 18961239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).