ethane;1-N-ethyl-1-N'-propylethane-1,1-diamine

C9H24N2 — CID 143131387

IUPACethane;1-N-ethyl-1-N'-propylethane-1,1-diamine
SMILESCC.CCCNC(C)NCC
InChIInChI=1S/C7H18N2.C2H6/c1-4-6-9-7(3)8-5-2;1-2/h7-9H,4-6H2,1-3H3;1-2H3
InChIKeyFKWGASVVXAFGBA-UHFFFAOYSA-N
MW160.30 g/mol
LogP1.97
Rot. Bonds5

About ethane;1-N-ethyl-1-N'-propylethane-1,1-diamine

ethane;1-N-ethyl-1-N'-propylethane-1,1-diamine (PubChem CID 143131387) has the molecular formula C9H24N2 and a molecular weight of 160.30 g/mol. Its IUPAC name is ethane;1-N-ethyl-1-N'-propylethane-1,1-diamine.

Molecular Properties

Compound Nameethane;1-N-ethyl-1-N'-propylethane-1,1-diamine
PubChem CID143131387
Molecular FormulaC9H24N2
Molecular Weight160.30 g/mol
Exact Mass160.19
IUPAC Nameethane;1-N-ethyl-1-N'-propylethane-1,1-diamine
SMILESCC.CCCNC(C)NCC
InChIInChI=1S/C7H18N2.C2H6/c1-4-6-9-7(3)8-5-2;1-2/h7-9H,4-6H2,1-3H3;1-2H3
InChIKeyFKWGASVVXAFGBA-UHFFFAOYSA-N
XLogP1.97
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.30
LogP ≤ 51.97
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,1-N'-diethylethane-1,1-diamine;molecular iodine
CID 162034687
1-N-ethyl-2-methyl-1-N'-propylpropane-1,1-diamine
CID 154626432
1-N'-(2-methylbutan-2-yl)-1-N-propylethane-1,1-diamine
CID 154626302
1-N'-tert-butyl-1-N-ethylethane-1,1-diamine;ethane
CID 170980277
1-(propylamino)ethanethiol
CID 23019004
methanamine;N-propan-2-ylpropan-1-amine
CID 156646096
CID 59694519
CID 59694519
1-N-ethyl-2,2-dimethyl-1-N'-propylpropane-1,1-diamine
CID 154626474
1-N-ethyl-2-N-propylpropane-1,2-diamine
CID 62569562
ethane;N-ethylpropan-2-amine;pentane
CID 155579970
1-N'-propylethane-1,1-diamine;hydrochloride
CID 140981166
4-ethyl-5-methyl-N-propylhexan-3-amine
CID 79307988

Frequently Asked Questions

What is the IUPAC name of ethane;1-N-ethyl-1-N'-propylethane-1,1-diamine?
The IUPAC name of ethane;1-N-ethyl-1-N'-propylethane-1,1-diamine (CID 143131387) is ethane;1-N-ethyl-1-N'-propylethane-1,1-diamine.
What is the SMILES notation for ethane;1-N-ethyl-1-N'-propylethane-1,1-diamine?
The canonical SMILES for ethane;1-N-ethyl-1-N'-propylethane-1,1-diamine is CC.CCCNC(C)NCC.
What is the InChIKey of ethane;1-N-ethyl-1-N'-propylethane-1,1-diamine?
The InChIKey is FKWGASVVXAFGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2.C2H6/c1-4-6-9-7(3)8-5-2;1-2/h7-9H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;1-N-ethyl-1-N'-propylethane-1,1-diamine?
ethane;1-N-ethyl-1-N'-propylethane-1,1-diamine has a molecular weight of 160.30 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-N-ethyl-1-N'-propylethane-1,1-diamine is sourced from PubChem (CID 143131387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).