(Z,3E)-N',N'-dimethyl-3-prop-2-enylidenebut-1-ene-1,4-diamine

C9H16N2 — CID 88914835

IUPAC(Z,3E)-N',N'-dimethyl-3-prop-2-enylidenebut-1-ene-1,4-diamine
SMILESC=C/C=C(\C=C/N)CN(C)C
InChIInChI=1S/C9H16N2/c1-4-5-9(6-7-10)8-11(2)3/h4-7H,1,8,10H2,2-3H3/b7-6-,9-5+
InChIKeyKCPADJASZNZVNA-QRLJIZSYSA-N
MW152.24 g/mol
LogP1.13
Rot. Bonds4

About (Z,3E)-N',N'-dimethyl-3-prop-2-enylidenebut-1-ene-1,4-diamine

(Z,3E)-N',N'-dimethyl-3-prop-2-enylidenebut-1-ene-1,4-diamine (PubChem CID 88914835) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (Z,3E)-N',N'-dimethyl-3-prop-2-enylidenebut-1-ene-1,4-diamine.

Molecular Properties

Compound Name(Z,3E)-N',N'-dimethyl-3-prop-2-enylidenebut-1-ene-1,4-diamine
PubChem CID88914835
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(Z,3E)-N',N'-dimethyl-3-prop-2-enylidenebut-1-ene-1,4-diamine
SMILESC=C/C=C(\C=C/N)CN(C)C
InChIInChI=1S/C9H16N2/c1-4-5-9(6-7-10)8-11(2)3/h4-7H,1,8,10H2,2-3H3/b7-6-,9-5+
InChIKeyKCPADJASZNZVNA-QRLJIZSYSA-N
XLogP1.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,3E)-N',N'-dimethyl-3-prop-2-enylidenebut-1-ene-1,4-diamine?
The IUPAC name of (Z,3E)-N',N'-dimethyl-3-prop-2-enylidenebut-1-ene-1,4-diamine (CID 88914835) is (Z,3E)-N',N'-dimethyl-3-prop-2-enylidenebut-1-ene-1,4-diamine.
What is the SMILES notation for (Z,3E)-N',N'-dimethyl-3-prop-2-enylidenebut-1-ene-1,4-diamine?
The canonical SMILES for (Z,3E)-N',N'-dimethyl-3-prop-2-enylidenebut-1-ene-1,4-diamine is C=C/C=C(\C=C/N)CN(C)C.
What is the InChIKey of (Z,3E)-N',N'-dimethyl-3-prop-2-enylidenebut-1-ene-1,4-diamine?
The InChIKey is KCPADJASZNZVNA-QRLJIZSYSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-5-9(6-7-10)8-11(2)3/h4-7H,1,8,10H2,2-3H3/b7-6-,9-5+.
What are the key properties of (Z,3E)-N',N'-dimethyl-3-prop-2-enylidenebut-1-ene-1,4-diamine?
(Z,3E)-N',N'-dimethyl-3-prop-2-enylidenebut-1-ene-1,4-diamine has a molecular weight of 152.24 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-N',N'-dimethyl-3-prop-2-enylidenebut-1-ene-1,4-diamine is sourced from PubChem (CID 88914835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).