(Z)-1-N,3-N,3-N-trimethylbut-1-ene-1,3-diamine

C7H16N2 — CID 88986996

IUPAC(Z)-1-N,3-N,3-N-trimethylbut-1-ene-1,3-diamine
SMILESCN/C=C\C(C)N(C)C
InChIInChI=1S/C7H16N2/c1-7(9(3)4)5-6-8-2/h5-8H,1-4H3/b6-5-
InChIKeyAYHLNOZJKHQERO-WAYWQWQTSA-N
MW128.22 g/mol
LogP0.67
Rot. Bonds3

About (Z)-1-N,3-N,3-N-trimethylbut-1-ene-1,3-diamine

(Z)-1-N,3-N,3-N-trimethylbut-1-ene-1,3-diamine (PubChem CID 88986996) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is (Z)-1-N,3-N,3-N-trimethylbut-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-1-N,3-N,3-N-trimethylbut-1-ene-1,3-diamine
PubChem CID88986996
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name(Z)-1-N,3-N,3-N-trimethylbut-1-ene-1,3-diamine
SMILESCN/C=C\C(C)N(C)C
InChIInChI=1S/C7H16N2/c1-7(9(3)4)5-6-8-2/h5-8H,1-4H3/b6-5-
InChIKeyAYHLNOZJKHQERO-WAYWQWQTSA-N
XLogP0.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-N,3-N,3-N-trimethylbut-1-ene-1,3-diamine?
The IUPAC name of (Z)-1-N,3-N,3-N-trimethylbut-1-ene-1,3-diamine (CID 88986996) is (Z)-1-N,3-N,3-N-trimethylbut-1-ene-1,3-diamine.
What is the SMILES notation for (Z)-1-N,3-N,3-N-trimethylbut-1-ene-1,3-diamine?
The canonical SMILES for (Z)-1-N,3-N,3-N-trimethylbut-1-ene-1,3-diamine is CN/C=C\C(C)N(C)C.
What is the InChIKey of (Z)-1-N,3-N,3-N-trimethylbut-1-ene-1,3-diamine?
The InChIKey is AYHLNOZJKHQERO-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H16N2/c1-7(9(3)4)5-6-8-2/h5-8H,1-4H3/b6-5-.
What are the key properties of (Z)-1-N,3-N,3-N-trimethylbut-1-ene-1,3-diamine?
(Z)-1-N,3-N,3-N-trimethylbut-1-ene-1,3-diamine has a molecular weight of 128.22 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N,3-N,3-N-trimethylbut-1-ene-1,3-diamine is sourced from PubChem (CID 88986996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).