(1E,3Z)-1-N',4-dimethyl-1-N'-propylhepta-1,3-diene-1,1-diamine

C12H24N2 — CID 167223883

IUPAC(1E,3Z)-1-N',4-dimethyl-1-N'-propylhepta-1,3-diene-1,1-diamine
SMILESCCC/C(C)=C\C=C(/N)N(C)CCC
InChIInChI=1S/C12H24N2/c1-5-7-11(3)8-9-12(13)14(4)10-6-2/h8-9H,5-7,10,13H2,1-4H3/b11-8-,12-9+
InChIKeyNVVXDFXKVKLARG-QABOREQESA-N
MW196.34 g/mol
LogP2.87
Rot. Bonds6

About (1E,3Z)-1-N',4-dimethyl-1-N'-propylhepta-1,3-diene-1,1-diamine

(1E,3Z)-1-N',4-dimethyl-1-N'-propylhepta-1,3-diene-1,1-diamine (PubChem CID 167223883) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (1E,3Z)-1-N',4-dimethyl-1-N'-propylhepta-1,3-diene-1,1-diamine.

Molecular Properties

Compound Name(1E,3Z)-1-N',4-dimethyl-1-N'-propylhepta-1,3-diene-1,1-diamine
PubChem CID167223883
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(1E,3Z)-1-N',4-dimethyl-1-N'-propylhepta-1,3-diene-1,1-diamine
SMILESCCC/C(C)=C\C=C(/N)N(C)CCC
InChIInChI=1S/C12H24N2/c1-5-7-11(3)8-9-12(13)14(4)10-6-2/h8-9H,5-7,10,13H2,1-4H3/b11-8-,12-9+
InChIKeyNVVXDFXKVKLARG-QABOREQESA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.87
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 (1E,3Z)-1-N',4-dimethyl-1-N'-propylhepta-1,3-diene-1,1-diamine?
The IUPAC name of (1E,3Z)-1-N',4-dimethyl-1-N'-propylhepta-1,3-diene-1,1-diamine (CID 167223883) is (1E,3Z)-1-N',4-dimethyl-1-N'-propylhepta-1,3-diene-1,1-diamine.
What is the SMILES notation for (1E,3Z)-1-N',4-dimethyl-1-N'-propylhepta-1,3-diene-1,1-diamine?
The canonical SMILES for (1E,3Z)-1-N',4-dimethyl-1-N'-propylhepta-1,3-diene-1,1-diamine is CCC/C(C)=C\C=C(/N)N(C)CCC.
What is the InChIKey of (1E,3Z)-1-N',4-dimethyl-1-N'-propylhepta-1,3-diene-1,1-diamine?
The InChIKey is NVVXDFXKVKLARG-QABOREQESA-N. The full InChI is InChI=1S/C12H24N2/c1-5-7-11(3)8-9-12(13)14(4)10-6-2/h8-9H,5-7,10,13H2,1-4H3/b11-8-,12-9+.
What are the key properties of (1E,3Z)-1-N',4-dimethyl-1-N'-propylhepta-1,3-diene-1,1-diamine?
(1E,3Z)-1-N',4-dimethyl-1-N'-propylhepta-1,3-diene-1,1-diamine has a molecular weight of 196.34 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-N',4-dimethyl-1-N'-propylhepta-1,3-diene-1,1-diamine is sourced from PubChem (CID 167223883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).