1-N'-propylethane-1,1-diamine;hydrochloride

C5H15ClN2 — CID 140981166

IUPAC1-N'-propylethane-1,1-diamine;hydrochloride
SMILESCCCNC(C)N.Cl
InChIInChI=1S/C5H14N2.ClH/c1-3-4-7-5(2)6;/h5,7H,3-4,6H2,1-2H3;1H
InChIKeyJVUWJKRFXVXQCN-UHFFFAOYSA-N
MW138.64 g/mol
LogP0.71
Rot. Bonds3

About 1-N'-propylethane-1,1-diamine;hydrochloride

1-N'-propylethane-1,1-diamine;hydrochloride (PubChem CID 140981166) has the molecular formula C5H15ClN2 and a molecular weight of 138.64 g/mol. Its IUPAC name is 1-N'-propylethane-1,1-diamine;hydrochloride.

Molecular Properties

Compound Name1-N'-propylethane-1,1-diamine;hydrochloride
PubChem CID140981166
Molecular FormulaC5H15ClN2
Molecular Weight138.64 g/mol
Exact Mass138.09
IUPAC Name1-N'-propylethane-1,1-diamine;hydrochloride
SMILESCCCNC(C)N.Cl
InChIInChI=1S/C5H14N2.ClH/c1-3-4-7-5(2)6;/h5,7H,3-4,6H2,1-2H3;1H
InChIKeyJVUWJKRFXVXQCN-UHFFFAOYSA-N
XLogP0.71
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.64
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N'-pentylethane-1,1-diamine
CID 87708859
1-N'-nonylethane-1,1-diamine
CID 141374358
methanamine;N-propan-2-ylpropan-1-amine
CID 156646096
1-(1-aminoethylamino)heptan-3-ol
CID 140711630
N'-(1-aminoethyl)butane-1,4-diamine
CID 21119792
2-amino-2-(propylamino)ethanol
CID 87879676
1-(propylamino)ethanethiol
CID 23019004
CID 59694519
CID 59694519
1-(1-aminoethylamino)octan-3-ol
CID 140711659
1-N'-propylsilylethane-1,1-diamine
CID 173131158
1-[2-(propylamino)propoxy]propan-2-amine
CID 59834050
1-amino-4-(1-aminoethylamino)butane-1-thiol
CID 91237614

Frequently Asked Questions

What is the IUPAC name of 1-N'-propylethane-1,1-diamine;hydrochloride?
The IUPAC name of 1-N'-propylethane-1,1-diamine;hydrochloride (CID 140981166) is 1-N'-propylethane-1,1-diamine;hydrochloride.
What is the SMILES notation for 1-N'-propylethane-1,1-diamine;hydrochloride?
The canonical SMILES for 1-N'-propylethane-1,1-diamine;hydrochloride is CCCNC(C)N.Cl.
What is the InChIKey of 1-N'-propylethane-1,1-diamine;hydrochloride?
The InChIKey is JVUWJKRFXVXQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2.ClH/c1-3-4-7-5(2)6;/h5,7H,3-4,6H2,1-2H3;1H.
What are the key properties of 1-N'-propylethane-1,1-diamine;hydrochloride?
1-N'-propylethane-1,1-diamine;hydrochloride has a molecular weight of 138.64 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-propylethane-1,1-diamine;hydrochloride is sourced from PubChem (CID 140981166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).