N'-ethyl-N-[(2Z,4Z)-hepta-2,4-dien-4-yl]-N'-methylethane-1,2-diamine

C12H24N2 — CID 130195096

IUPACN'-ethyl-N-[(2Z,4Z)-hepta-2,4-dien-4-yl]-N'-methylethane-1,2-diamine
SMILESC/C=C\C(=C\CC)NCCN(C)CC
InChIInChI=1S/C12H24N2/c1-5-8-12(9-6-2)13-10-11-14(4)7-3/h5,8-9,13H,6-7,10-11H2,1-4H3/b8-5-,12-9-
InChIKeyUOZITVVVIMBYFG-CVNCVQKXSA-N
MW196.34 g/mol
LogP2.40
Rot. Bonds7

About N'-ethyl-N-[(2Z,4Z)-hepta-2,4-dien-4-yl]-N'-methylethane-1,2-diamine

N'-ethyl-N-[(2Z,4Z)-hepta-2,4-dien-4-yl]-N'-methylethane-1,2-diamine (PubChem CID 130195096) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N'-ethyl-N-[(2Z,4Z)-hepta-2,4-dien-4-yl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-[(2Z,4Z)-hepta-2,4-dien-4-yl]-N'-methylethane-1,2-diamine
PubChem CID130195096
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN'-ethyl-N-[(2Z,4Z)-hepta-2,4-dien-4-yl]-N'-methylethane-1,2-diamine
SMILESC/C=C\C(=C\CC)NCCN(C)CC
InChIInChI=1S/C12H24N2/c1-5-8-12(9-6-2)13-10-11-14(4)7-3/h5,8-9,13H,6-7,10-11H2,1-4H3/b8-5-,12-9-
InChIKeyUOZITVVVIMBYFG-CVNCVQKXSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.40
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 N'-ethyl-N-[(2Z,4Z)-hepta-2,4-dien-4-yl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-[(2Z,4Z)-hepta-2,4-dien-4-yl]-N'-methylethane-1,2-diamine (CID 130195096) is N'-ethyl-N-[(2Z,4Z)-hepta-2,4-dien-4-yl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-[(2Z,4Z)-hepta-2,4-dien-4-yl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-[(2Z,4Z)-hepta-2,4-dien-4-yl]-N'-methylethane-1,2-diamine is C/C=C\C(=C\CC)NCCN(C)CC.
What is the InChIKey of N'-ethyl-N-[(2Z,4Z)-hepta-2,4-dien-4-yl]-N'-methylethane-1,2-diamine?
The InChIKey is UOZITVVVIMBYFG-CVNCVQKXSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-8-12(9-6-2)13-10-11-14(4)7-3/h5,8-9,13H,6-7,10-11H2,1-4H3/b8-5-,12-9-.
What are the key properties of N'-ethyl-N-[(2Z,4Z)-hepta-2,4-dien-4-yl]-N'-methylethane-1,2-diamine?
N'-ethyl-N-[(2Z,4Z)-hepta-2,4-dien-4-yl]-N'-methylethane-1,2-diamine has a molecular weight of 196.34 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-[(2Z,4Z)-hepta-2,4-dien-4-yl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 130195096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).