1-N,3-N-diethyl-1-N-(2-methylprop-2-enyl)butane-1,3-diamine

C12H26N2 — CID 62834009

IUPAC1-N,3-N-diethyl-1-N-(2-methylprop-2-enyl)butane-1,3-diamine
SMILESC=C(C)CN(CC)CCC(C)NCC
InChIInChI=1S/C12H26N2/c1-6-13-12(5)8-9-14(7-2)10-11(3)4/h12-13H,3,6-10H2,1-2,4-5H3
InChIKeyBLHIMEPKTRERLF-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.27
Rot. Bonds8

About 1-N,3-N-diethyl-1-N-(2-methylprop-2-enyl)butane-1,3-diamine

1-N,3-N-diethyl-1-N-(2-methylprop-2-enyl)butane-1,3-diamine (PubChem CID 62834009) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-N,3-N-diethyl-1-N-(2-methylprop-2-enyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-diethyl-1-N-(2-methylprop-2-enyl)butane-1,3-diamine
PubChem CID62834009
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-N,3-N-diethyl-1-N-(2-methylprop-2-enyl)butane-1,3-diamine
SMILESC=C(C)CN(CC)CCC(C)NCC
InChIInChI=1S/C12H26N2/c1-6-13-12(5)8-9-14(7-2)10-11(3)4/h12-13H,3,6-10H2,1-2,4-5H3
InChIKeyBLHIMEPKTRERLF-UHFFFAOYSA-N
XLogP2.27
TPSA15.27 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 ≤ 52.27
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 1-N,3-N-diethyl-1-N-(2-methylprop-2-enyl)butane-1,3-diamine?
The IUPAC name of 1-N,3-N-diethyl-1-N-(2-methylprop-2-enyl)butane-1,3-diamine (CID 62834009) is 1-N,3-N-diethyl-1-N-(2-methylprop-2-enyl)butane-1,3-diamine.
What is the SMILES notation for 1-N,3-N-diethyl-1-N-(2-methylprop-2-enyl)butane-1,3-diamine?
The canonical SMILES for 1-N,3-N-diethyl-1-N-(2-methylprop-2-enyl)butane-1,3-diamine is C=C(C)CN(CC)CCC(C)NCC.
What is the InChIKey of 1-N,3-N-diethyl-1-N-(2-methylprop-2-enyl)butane-1,3-diamine?
The InChIKey is BLHIMEPKTRERLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-6-13-12(5)8-9-14(7-2)10-11(3)4/h12-13H,3,6-10H2,1-2,4-5H3.
What are the key properties of 1-N,3-N-diethyl-1-N-(2-methylprop-2-enyl)butane-1,3-diamine?
1-N,3-N-diethyl-1-N-(2-methylprop-2-enyl)butane-1,3-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-diethyl-1-N-(2-methylprop-2-enyl)butane-1,3-diamine is sourced from PubChem (CID 62834009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).