N-(2-methylprop-2-enyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

C12H26N2 — CID 60690147

IUPACN-(2-methylprop-2-enyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESC=C(C)CNCCN(C(C)C)C(C)C
InChIInChI=1S/C12H26N2/c1-10(2)9-13-7-8-14(11(3)4)12(5)6/h11-13H,1,7-9H2,2-6H3
InChIKeyZWDNMOVXAORADX-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.27
Rot. Bonds7

About N-(2-methylprop-2-enyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-(2-methylprop-2-enyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 60690147) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID60690147
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-(2-methylprop-2-enyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESC=C(C)CNCCN(C(C)C)C(C)C
InChIInChI=1S/C12H26N2/c1-10(2)9-13-7-8-14(11(3)4)12(5)6/h11-13H,1,7-9H2,2-6H3
InChIKeyZWDNMOVXAORADX-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
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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Related Compounds

N',N'-diethyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 60684295
N'-ethyl-N'-methyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 62635241
N-carbamoyl-2-[2-[di(propan-2-yl)amino]ethylamino]acetamide
CID 28568651
N-[2-[di(propan-2-yl)amino]ethyl]-2-methylprop-2-enamide
CID 87732978
2-(2-methylprop-2-enylamino)ethanol
CID 19100967
N-butyl-2-[2-[di(propan-2-yl)amino]ethylamino]acetamide
CID 60672606
2-methyl-N-(2-methylprop-2-enyl)propan-1-amine
CID 20518350
N-methyl-2-(2-methylprop-2-enylamino)-N-propan-2-ylacetamide
CID 114616817
4-[2-[di(propan-2-yl)amino]ethylamino]-2-methylbutan-2-ol
CID 79361244
3-[2-[di(propan-2-yl)amino]ethylamino]propane-1,2-diol
CID 76891683
5-[2-[di(propan-2-yl)amino]ethylamino]pentan-1-ol
CID 62228638
3-[2-[di(propan-2-yl)amino]ethylamino]-2-methylpropanoic acid
CID 43538375

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(2-methylprop-2-enyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 60690147) is N-(2-methylprop-2-enyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-methylprop-2-enyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2-methylprop-2-enyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is C=C(C)CNCCN(C(C)C)C(C)C.
What is the InChIKey of N-(2-methylprop-2-enyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is ZWDNMOVXAORADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-10(2)9-13-7-8-14(11(3)4)12(5)6/h11-13H,1,7-9H2,2-6H3.
What are the key properties of N-(2-methylprop-2-enyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-(2-methylprop-2-enyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 60690147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).