N'-ethyl-N'-(2-methylprop-2-enyl)propane-1,3-diamine

C9H20N2 — CID 16767736

IUPACN'-ethyl-N'-(2-methylprop-2-enyl)propane-1,3-diamine
SMILESC=C(C)CN(CC)CCCN
InChIInChI=1S/C9H20N2/c1-4-11(7-5-6-10)8-9(2)3/h2,4-8,10H2,1,3H3
InChIKeyRAGNPRFTQFEDBI-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.23
Rot. Bonds6

About N'-ethyl-N'-(2-methylprop-2-enyl)propane-1,3-diamine

N'-ethyl-N'-(2-methylprop-2-enyl)propane-1,3-diamine (PubChem CID 16767736) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N'-ethyl-N'-(2-methylprop-2-enyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(2-methylprop-2-enyl)propane-1,3-diamine
PubChem CID16767736
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN'-ethyl-N'-(2-methylprop-2-enyl)propane-1,3-diamine
SMILESC=C(C)CN(CC)CCCN
InChIInChI=1S/C9H20N2/c1-4-11(7-5-6-10)8-9(2)3/h2,4-8,10H2,1,3H3
InChIKeyRAGNPRFTQFEDBI-UHFFFAOYSA-N
XLogP1.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(2-methylprop-2-enyl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-(2-methylprop-2-enyl)propane-1,3-diamine (CID 16767736) is N'-ethyl-N'-(2-methylprop-2-enyl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-(2-methylprop-2-enyl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-(2-methylprop-2-enyl)propane-1,3-diamine is C=C(C)CN(CC)CCCN.
What is the InChIKey of N'-ethyl-N'-(2-methylprop-2-enyl)propane-1,3-diamine?
The InChIKey is RAGNPRFTQFEDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-4-11(7-5-6-10)8-9(2)3/h2,4-8,10H2,1,3H3.
What are the key properties of N'-ethyl-N'-(2-methylprop-2-enyl)propane-1,3-diamine?
N'-ethyl-N'-(2-methylprop-2-enyl)propane-1,3-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(2-methylprop-2-enyl)propane-1,3-diamine is sourced from PubChem (CID 16767736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).