(E,3E)-2-chloro-3-(1-chloro-2-methoxyprop-2-enylidene)-N'-(2,2-dimethylpropyl)pent-1-ene-1,5-diamine

C14H24Cl2N2O — CID 118349732

IUPAC(E,3E)-2-chloro-3-(1-chloro-2-methoxyprop-2-enylidene)-N'-(2,2-dimethylpropyl)pent-1-ene-1,5-diamine
SMILESC=C(OC)/C(Cl)=C(CCNCC(C)(C)C)\C(Cl)=C/N
InChIInChI=1S/C14H24Cl2N2O/c1-10(19-5)13(16)11(12(15)8-17)6-7-18-9-14(2,3)4/h8,18H,1,6-7,9,17H2,2-5H3/b12-8+,13-11+
InChIKeyKUAGRDOBDQJRAA-UHSWXSRBSA-N
MW307.27 g/mol
LogP3.70
Rot. Bonds7

About (E,3E)-2-chloro-3-(1-chloro-2-methoxyprop-2-enylidene)-N'-(2,2-dimethylpropyl)pent-1-ene-1,5-diamine

(E,3E)-2-chloro-3-(1-chloro-2-methoxyprop-2-enylidene)-N'-(2,2-dimethylpropyl)pent-1-ene-1,5-diamine (PubChem CID 118349732) has the molecular formula C14H24Cl2N2O and a molecular weight of 307.27 g/mol. Its IUPAC name is (E,3E)-2-chloro-3-(1-chloro-2-methoxyprop-2-enylidene)-N'-(2,2-dimethylpropyl)pent-1-ene-1,5-diamine.

Molecular Properties

Compound Name(E,3E)-2-chloro-3-(1-chloro-2-methoxyprop-2-enylidene)-N'-(2,2-dimethylpropyl)pent-1-ene-1,5-diamine
PubChem CID118349732
Molecular FormulaC14H24Cl2N2O
Molecular Weight307.27 g/mol
Exact Mass306.13
IUPAC Name(E,3E)-2-chloro-3-(1-chloro-2-methoxyprop-2-enylidene)-N'-(2,2-dimethylpropyl)pent-1-ene-1,5-diamine
SMILESC=C(OC)/C(Cl)=C(CCNCC(C)(C)C)\C(Cl)=C/N
InChIInChI=1S/C14H24Cl2N2O/c1-10(19-5)13(16)11(12(15)8-17)6-7-18-9-14(2,3)4/h8,18H,1,6-7,9,17H2,2-5H3/b12-8+,13-11+
InChIKeyKUAGRDOBDQJRAA-UHSWXSRBSA-N
XLogP3.70
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,3E)-2-chloro-3-(1-chloro-2-methoxyprop-2-enylidene)-N'-(2,2-dimethylpropyl)pent-1-ene-1,5-diamine?
The IUPAC name of (E,3E)-2-chloro-3-(1-chloro-2-methoxyprop-2-enylidene)-N'-(2,2-dimethylpropyl)pent-1-ene-1,5-diamine (CID 118349732) is (E,3E)-2-chloro-3-(1-chloro-2-methoxyprop-2-enylidene)-N'-(2,2-dimethylpropyl)pent-1-ene-1,5-diamine.
What is the SMILES notation for (E,3E)-2-chloro-3-(1-chloro-2-methoxyprop-2-enylidene)-N'-(2,2-dimethylpropyl)pent-1-ene-1,5-diamine?
The canonical SMILES for (E,3E)-2-chloro-3-(1-chloro-2-methoxyprop-2-enylidene)-N'-(2,2-dimethylpropyl)pent-1-ene-1,5-diamine is C=C(OC)/C(Cl)=C(CCNCC(C)(C)C)\C(Cl)=C/N.
What is the InChIKey of (E,3E)-2-chloro-3-(1-chloro-2-methoxyprop-2-enylidene)-N'-(2,2-dimethylpropyl)pent-1-ene-1,5-diamine?
The InChIKey is KUAGRDOBDQJRAA-UHSWXSRBSA-N. The full InChI is InChI=1S/C14H24Cl2N2O/c1-10(19-5)13(16)11(12(15)8-17)6-7-18-9-14(2,3)4/h8,18H,1,6-7,9,17H2,2-5H3/b12-8+,13-11+.
What are the key properties of (E,3E)-2-chloro-3-(1-chloro-2-methoxyprop-2-enylidene)-N'-(2,2-dimethylpropyl)pent-1-ene-1,5-diamine?
(E,3E)-2-chloro-3-(1-chloro-2-methoxyprop-2-enylidene)-N'-(2,2-dimethylpropyl)pent-1-ene-1,5-diamine has a molecular weight of 307.27 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3E)-2-chloro-3-(1-chloro-2-methoxyprop-2-enylidene)-N'-(2,2-dimethylpropyl)pent-1-ene-1,5-diamine is sourced from PubChem (CID 118349732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).