N'-(2-methylpropyl)-N'-prop-2-enylethane-1,2-diamine

C9H20N2 — CID 62381780

IUPACN'-(2-methylpropyl)-N'-prop-2-enylethane-1,2-diamine
SMILESC=CCN(CCN)CC(C)C
InChIInChI=1S/C9H20N2/c1-4-6-11(7-5-10)8-9(2)3/h4,9H,1,5-8,10H2,2-3H3
InChIKeyNCTYJSQHWTUYSM-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.09
Rot. Bonds6

About N'-(2-methylpropyl)-N'-prop-2-enylethane-1,2-diamine

N'-(2-methylpropyl)-N'-prop-2-enylethane-1,2-diamine (PubChem CID 62381780) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N'-(2-methylpropyl)-N'-prop-2-enylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methylpropyl)-N'-prop-2-enylethane-1,2-diamine
PubChem CID62381780
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN'-(2-methylpropyl)-N'-prop-2-enylethane-1,2-diamine
SMILESC=CCN(CCN)CC(C)C
InChIInChI=1S/C9H20N2/c1-4-6-11(7-5-10)8-9(2)3/h4,9H,1,5-8,10H2,2-3H3
InChIKeyNCTYJSQHWTUYSM-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
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'-(2-methylpropyl)-N'-prop-2-enylethane-1,2-diamine?
The IUPAC name of N'-(2-methylpropyl)-N'-prop-2-enylethane-1,2-diamine (CID 62381780) is N'-(2-methylpropyl)-N'-prop-2-enylethane-1,2-diamine.
What is the SMILES notation for N'-(2-methylpropyl)-N'-prop-2-enylethane-1,2-diamine?
The canonical SMILES for N'-(2-methylpropyl)-N'-prop-2-enylethane-1,2-diamine is C=CCN(CCN)CC(C)C.
What is the InChIKey of N'-(2-methylpropyl)-N'-prop-2-enylethane-1,2-diamine?
The InChIKey is NCTYJSQHWTUYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-4-6-11(7-5-10)8-9(2)3/h4,9H,1,5-8,10H2,2-3H3.
What are the key properties of N'-(2-methylpropyl)-N'-prop-2-enylethane-1,2-diamine?
N'-(2-methylpropyl)-N'-prop-2-enylethane-1,2-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropyl)-N'-prop-2-enylethane-1,2-diamine is sourced from PubChem (CID 62381780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).