N'-(3-methylbut-2-enyl)-N-prop-2-enylpropane-1,3-diamine

C11H22N2 — CID 123627492

IUPACN'-(3-methylbut-2-enyl)-N-prop-2-enylpropane-1,3-diamine
SMILESC=CCNCCCNCC=C(C)C
InChIInChI=1S/C11H22N2/c1-4-7-12-8-5-9-13-10-6-11(2)3/h4,6,12-13H,1,5,7-10H2,2-3H3
InChIKeyIYQUVTSXQTUWSM-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.71
Rot. Bonds8

About N'-(3-methylbut-2-enyl)-N-prop-2-enylpropane-1,3-diamine

N'-(3-methylbut-2-enyl)-N-prop-2-enylpropane-1,3-diamine (PubChem CID 123627492) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N'-(3-methylbut-2-enyl)-N-prop-2-enylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-methylbut-2-enyl)-N-prop-2-enylpropane-1,3-diamine
PubChem CID123627492
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN'-(3-methylbut-2-enyl)-N-prop-2-enylpropane-1,3-diamine
SMILESC=CCNCCCNCC=C(C)C
InChIInChI=1S/C11H22N2/c1-4-7-12-8-5-9-13-10-6-11(2)3/h4,6,12-13H,1,5,7-10H2,2-3H3
InChIKeyIYQUVTSXQTUWSM-UHFFFAOYSA-N
XLogP1.71
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3-methylbut-2-enyl)-N-prop-2-enylpropane-1,3-diamine?
The IUPAC name of N'-(3-methylbut-2-enyl)-N-prop-2-enylpropane-1,3-diamine (CID 123627492) is N'-(3-methylbut-2-enyl)-N-prop-2-enylpropane-1,3-diamine.
What is the SMILES notation for N'-(3-methylbut-2-enyl)-N-prop-2-enylpropane-1,3-diamine?
The canonical SMILES for N'-(3-methylbut-2-enyl)-N-prop-2-enylpropane-1,3-diamine is C=CCNCCCNCC=C(C)C.
What is the InChIKey of N'-(3-methylbut-2-enyl)-N-prop-2-enylpropane-1,3-diamine?
The InChIKey is IYQUVTSXQTUWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-7-12-8-5-9-13-10-6-11(2)3/h4,6,12-13H,1,5,7-10H2,2-3H3.
What are the key properties of N'-(3-methylbut-2-enyl)-N-prop-2-enylpropane-1,3-diamine?
N'-(3-methylbut-2-enyl)-N-prop-2-enylpropane-1,3-diamine has a molecular weight of 182.31 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylbut-2-enyl)-N-prop-2-enylpropane-1,3-diamine is sourced from PubChem (CID 123627492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).