N,2-dimethyl-N'-(2-methylprop-2-enyl)-N'-propan-2-ylpropane-1,3-diamine

C12H26N2 — CID 167304192

IUPACN,2-dimethyl-N'-(2-methylprop-2-enyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESC=C(C)CN(CC(C)CNC)C(C)C
InChIInChI=1S/C12H26N2/c1-10(2)8-14(11(3)4)9-12(5)7-13-6/h11-13H,1,7-9H2,2-6H3
InChIKeyWUUFIIZSDFOQAQ-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.13
Rot. Bonds7

About N,2-dimethyl-N'-(2-methylprop-2-enyl)-N'-propan-2-ylpropane-1,3-diamine

N,2-dimethyl-N'-(2-methylprop-2-enyl)-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 167304192) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N,2-dimethyl-N'-(2-methylprop-2-enyl)-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN,2-dimethyl-N'-(2-methylprop-2-enyl)-N'-propan-2-ylpropane-1,3-diamine
PubChem CID167304192
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN,2-dimethyl-N'-(2-methylprop-2-enyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESC=C(C)CN(CC(C)CNC)C(C)C
InChIInChI=1S/C12H26N2/c1-10(2)8-14(11(3)4)9-12(5)7-13-6/h11-13H,1,7-9H2,2-6H3
InChIKeyWUUFIIZSDFOQAQ-UHFFFAOYSA-N
XLogP2.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.13
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-dimethyl-N'-(2-methylprop-2-enyl)-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N,2-dimethyl-N'-(2-methylprop-2-enyl)-N'-propan-2-ylpropane-1,3-diamine (CID 167304192) is N,2-dimethyl-N'-(2-methylprop-2-enyl)-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N,2-dimethyl-N'-(2-methylprop-2-enyl)-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N,2-dimethyl-N'-(2-methylprop-2-enyl)-N'-propan-2-ylpropane-1,3-diamine is C=C(C)CN(CC(C)CNC)C(C)C.
What is the InChIKey of N,2-dimethyl-N'-(2-methylprop-2-enyl)-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is WUUFIIZSDFOQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-10(2)8-14(11(3)4)9-12(5)7-13-6/h11-13H,1,7-9H2,2-6H3.
What are the key properties of N,2-dimethyl-N'-(2-methylprop-2-enyl)-N'-propan-2-ylpropane-1,3-diamine?
N,2-dimethyl-N'-(2-methylprop-2-enyl)-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N'-(2-methylprop-2-enyl)-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 167304192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).