1-N-but-1-en-2-yl-2-ethylhexane-1,5-diamine

C12H26N2 — CID 89209290

IUPAC1-N-but-1-en-2-yl-2-ethylhexane-1,5-diamine
SMILESC=C(CC)NCC(CC)CCC(C)N
InChIInChI=1S/C12H26N2/c1-5-11(4)14-9-12(6-2)8-7-10(3)13/h10,12,14H,4-9,13H2,1-3H3
InChIKeyVNMKRGLBRGHBFV-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.65
Rot. Bonds8

About 1-N-but-1-en-2-yl-2-ethylhexane-1,5-diamine

1-N-but-1-en-2-yl-2-ethylhexane-1,5-diamine (PubChem CID 89209290) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-N-but-1-en-2-yl-2-ethylhexane-1,5-diamine.

Molecular Properties

Compound Name1-N-but-1-en-2-yl-2-ethylhexane-1,5-diamine
PubChem CID89209290
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-N-but-1-en-2-yl-2-ethylhexane-1,5-diamine
SMILESC=C(CC)NCC(CC)CCC(C)N
InChIInChI=1S/C12H26N2/c1-5-11(4)14-9-12(6-2)8-7-10(3)13/h10,12,14H,4-9,13H2,1-3H3
InChIKeyVNMKRGLBRGHBFV-UHFFFAOYSA-N
XLogP2.65
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-but-1-en-2-yl-2-ethylhexane-1,5-diamine?
The IUPAC name of 1-N-but-1-en-2-yl-2-ethylhexane-1,5-diamine (CID 89209290) is 1-N-but-1-en-2-yl-2-ethylhexane-1,5-diamine.
What is the SMILES notation for 1-N-but-1-en-2-yl-2-ethylhexane-1,5-diamine?
The canonical SMILES for 1-N-but-1-en-2-yl-2-ethylhexane-1,5-diamine is C=C(CC)NCC(CC)CCC(C)N.
What is the InChIKey of 1-N-but-1-en-2-yl-2-ethylhexane-1,5-diamine?
The InChIKey is VNMKRGLBRGHBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-11(4)14-9-12(6-2)8-7-10(3)13/h10,12,14H,4-9,13H2,1-3H3.
What are the key properties of 1-N-but-1-en-2-yl-2-ethylhexane-1,5-diamine?
1-N-but-1-en-2-yl-2-ethylhexane-1,5-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-but-1-en-2-yl-2-ethylhexane-1,5-diamine is sourced from PubChem (CID 89209290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).