(3E,5Z)-1-N,1-N-diethyl-2-methylhepta-3,5-diene-1,4-diamine

C12H24N2 — CID 143866482

IUPAC(3E,5Z)-1-N,1-N-diethyl-2-methylhepta-3,5-diene-1,4-diamine
SMILESC/C=C\C(N)=C/C(C)CN(CC)CC
InChIInChI=1S/C12H24N2/c1-5-8-12(13)9-11(4)10-14(6-2)7-3/h5,8-9,11H,6-7,10,13H2,1-4H3/b8-5-,12-9+
InChIKeyVJKXVTZDFHHESL-JWAJRPJHSA-N
MW196.34 g/mol
LogP2.38
Rot. Bonds6

About (3E,5Z)-1-N,1-N-diethyl-2-methylhepta-3,5-diene-1,4-diamine

(3E,5Z)-1-N,1-N-diethyl-2-methylhepta-3,5-diene-1,4-diamine (PubChem CID 143866482) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (3E,5Z)-1-N,1-N-diethyl-2-methylhepta-3,5-diene-1,4-diamine.

Molecular Properties

Compound Name(3E,5Z)-1-N,1-N-diethyl-2-methylhepta-3,5-diene-1,4-diamine
PubChem CID143866482
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(3E,5Z)-1-N,1-N-diethyl-2-methylhepta-3,5-diene-1,4-diamine
SMILESC/C=C\C(N)=C/C(C)CN(CC)CC
InChIInChI=1S/C12H24N2/c1-5-8-12(13)9-11(4)10-14(6-2)7-3/h5,8-9,11H,6-7,10,13H2,1-4H3/b8-5-,12-9+
InChIKeyVJKXVTZDFHHESL-JWAJRPJHSA-N
XLogP2.38
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 ≤ 52.38
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 (3E,5Z)-1-N,1-N-diethyl-2-methylhepta-3,5-diene-1,4-diamine?
The IUPAC name of (3E,5Z)-1-N,1-N-diethyl-2-methylhepta-3,5-diene-1,4-diamine (CID 143866482) is (3E,5Z)-1-N,1-N-diethyl-2-methylhepta-3,5-diene-1,4-diamine.
What is the SMILES notation for (3E,5Z)-1-N,1-N-diethyl-2-methylhepta-3,5-diene-1,4-diamine?
The canonical SMILES for (3E,5Z)-1-N,1-N-diethyl-2-methylhepta-3,5-diene-1,4-diamine is C/C=C\C(N)=C/C(C)CN(CC)CC.
What is the InChIKey of (3E,5Z)-1-N,1-N-diethyl-2-methylhepta-3,5-diene-1,4-diamine?
The InChIKey is VJKXVTZDFHHESL-JWAJRPJHSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-8-12(13)9-11(4)10-14(6-2)7-3/h5,8-9,11H,6-7,10,13H2,1-4H3/b8-5-,12-9+.
What are the key properties of (3E,5Z)-1-N,1-N-diethyl-2-methylhepta-3,5-diene-1,4-diamine?
(3E,5Z)-1-N,1-N-diethyl-2-methylhepta-3,5-diene-1,4-diamine has a molecular weight of 196.34 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-1-N,1-N-diethyl-2-methylhepta-3,5-diene-1,4-diamine is sourced from PubChem (CID 143866482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).