1-N'-ethyl-1-N'-pentylprop-1-ene-1,1-diamine

C10H22N2 — CID 173457561

IUPAC1-N'-ethyl-1-N'-pentylprop-1-ene-1,1-diamine
SMILESCC=C(N)N(CC)CCCCC
InChIInChI=1S/C10H22N2/c1-4-7-8-9-12(6-3)10(11)5-2/h5H,4,6-9,11H2,1-3H3
InChIKeySDLJOCZIYDSDJM-UHFFFAOYSA-N
MW170.30 g/mol
LogP2.32
Rot. Bonds6

About 1-N'-ethyl-1-N'-pentylprop-1-ene-1,1-diamine

1-N'-ethyl-1-N'-pentylprop-1-ene-1,1-diamine (PubChem CID 173457561) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-N'-ethyl-1-N'-pentylprop-1-ene-1,1-diamine.

Molecular Properties

Compound Name1-N'-ethyl-1-N'-pentylprop-1-ene-1,1-diamine
PubChem CID173457561
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name1-N'-ethyl-1-N'-pentylprop-1-ene-1,1-diamine
SMILESCC=C(N)N(CC)CCCCC
InChIInChI=1S/C10H22N2/c1-4-7-8-9-12(6-3)10(11)5-2/h5H,4,6-9,11H2,1-3H3
InChIKeySDLJOCZIYDSDJM-UHFFFAOYSA-N
XLogP2.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N'-ethyl-1-N'-pentylprop-1-ene-1,1-diamine?
The IUPAC name of 1-N'-ethyl-1-N'-pentylprop-1-ene-1,1-diamine (CID 173457561) is 1-N'-ethyl-1-N'-pentylprop-1-ene-1,1-diamine.
What is the SMILES notation for 1-N'-ethyl-1-N'-pentylprop-1-ene-1,1-diamine?
The canonical SMILES for 1-N'-ethyl-1-N'-pentylprop-1-ene-1,1-diamine is CC=C(N)N(CC)CCCCC.
What is the InChIKey of 1-N'-ethyl-1-N'-pentylprop-1-ene-1,1-diamine?
The InChIKey is SDLJOCZIYDSDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-4-7-8-9-12(6-3)10(11)5-2/h5H,4,6-9,11H2,1-3H3.
What are the key properties of 1-N'-ethyl-1-N'-pentylprop-1-ene-1,1-diamine?
1-N'-ethyl-1-N'-pentylprop-1-ene-1,1-diamine has a molecular weight of 170.30 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-ethyl-1-N'-pentylprop-1-ene-1,1-diamine is sourced from PubChem (CID 173457561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).