N',2-diethyl-N'-(2-methylprop-2-enyl)butane-1,4-diamine

C12H26N2 — CID 81079886

IUPACN',2-diethyl-N'-(2-methylprop-2-enyl)butane-1,4-diamine
SMILESC=C(C)CN(CC)CCC(CC)CN
InChIInChI=1S/C12H26N2/c1-5-12(9-13)7-8-14(6-2)10-11(3)4/h12H,3,5-10,13H2,1-2,4H3
InChIKeySCJXKNLGIVLFDT-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.26
Rot. Bonds8

About N',2-diethyl-N'-(2-methylprop-2-enyl)butane-1,4-diamine

N',2-diethyl-N'-(2-methylprop-2-enyl)butane-1,4-diamine (PubChem CID 81079886) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N',2-diethyl-N'-(2-methylprop-2-enyl)butane-1,4-diamine.

Molecular Properties

Compound NameN',2-diethyl-N'-(2-methylprop-2-enyl)butane-1,4-diamine
PubChem CID81079886
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN',2-diethyl-N'-(2-methylprop-2-enyl)butane-1,4-diamine
SMILESC=C(C)CN(CC)CCC(CC)CN
InChIInChI=1S/C12H26N2/c1-5-12(9-13)7-8-14(6-2)10-11(3)4/h12H,3,5-10,13H2,1-2,4H3
InChIKeySCJXKNLGIVLFDT-UHFFFAOYSA-N
XLogP2.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.26
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-diethyl-N'-(2-methylprop-2-enyl)butane-1,4-diamine?
The IUPAC name of N',2-diethyl-N'-(2-methylprop-2-enyl)butane-1,4-diamine (CID 81079886) is N',2-diethyl-N'-(2-methylprop-2-enyl)butane-1,4-diamine.
What is the SMILES notation for N',2-diethyl-N'-(2-methylprop-2-enyl)butane-1,4-diamine?
The canonical SMILES for N',2-diethyl-N'-(2-methylprop-2-enyl)butane-1,4-diamine is C=C(C)CN(CC)CCC(CC)CN.
What is the InChIKey of N',2-diethyl-N'-(2-methylprop-2-enyl)butane-1,4-diamine?
The InChIKey is SCJXKNLGIVLFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-12(9-13)7-8-14(6-2)10-11(3)4/h12H,3,5-10,13H2,1-2,4H3.
What are the key properties of N',2-diethyl-N'-(2-methylprop-2-enyl)butane-1,4-diamine?
N',2-diethyl-N'-(2-methylprop-2-enyl)butane-1,4-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-diethyl-N'-(2-methylprop-2-enyl)butane-1,4-diamine is sourced from PubChem (CID 81079886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).