(E)-3-chloro-4-iminopent-2-en-2-amine;ethane

C7H15ClN2 — CID 143061523

IUPAC(E)-3-chloro-4-iminopent-2-en-2-amine;ethane
SMILESCC.[H]/N=C(C)/C(Cl)=C(/C)N
InChIInChI=1S/C5H9ClN2.C2H6/c1-3(7)5(6)4(2)8;1-2/h7H,8H2,1-2H3;1-2H3/b5-4+,7-3+;
InChIKeyKWRRIYSZODSNSV-JOYMDKBYSA-N
MW162.66 g/mol
LogP2.48
Rot. Bonds1

About (E)-3-chloro-4-iminopent-2-en-2-amine;ethane

(E)-3-chloro-4-iminopent-2-en-2-amine;ethane (PubChem CID 143061523) has the molecular formula C7H15ClN2 and a molecular weight of 162.66 g/mol. Its IUPAC name is (E)-3-chloro-4-iminopent-2-en-2-amine;ethane.

Molecular Properties

Compound Name(E)-3-chloro-4-iminopent-2-en-2-amine;ethane
PubChem CID143061523
Molecular FormulaC7H15ClN2
Molecular Weight162.66 g/mol
Exact Mass162.09
IUPAC Name(E)-3-chloro-4-iminopent-2-en-2-amine;ethane
SMILESCC.[H]/N=C(C)/C(Cl)=C(/C)N
InChIInChI=1S/C5H9ClN2.C2H6/c1-3(7)5(6)4(2)8;1-2/h7H,8H2,1-2H3;1-2H3/b5-4+,7-3+;
InChIKeyKWRRIYSZODSNSV-JOYMDKBYSA-N
XLogP2.48
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.66
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-4-iminopent-2-ene-2,3-diamine
CID 89984376
(E)-4-imino-3-N-iodopent-2-ene-2,3-diamine
CID 129258672
(E)-3-chloro-4-iminohex-2-en-2-amine
CID 155086766
3-Chloro-4-methyliminopent-2-en-2-amine
CID 173845419
(E)-3-chloro-4-iminopent-2-en-2-amine
CID 143061524
(4-Amino-3-chloropent-3-en-2-ylidene)-dimethylazanium
CID 173413472
(E)-3-chlorohex-3-ene-2,5-diimine
CID 176561081

Frequently Asked Questions

What is the IUPAC name of (E)-3-chloro-4-iminopent-2-en-2-amine;ethane?
The IUPAC name of (E)-3-chloro-4-iminopent-2-en-2-amine;ethane (CID 143061523) is (E)-3-chloro-4-iminopent-2-en-2-amine;ethane.
What is the SMILES notation for (E)-3-chloro-4-iminopent-2-en-2-amine;ethane?
The canonical SMILES for (E)-3-chloro-4-iminopent-2-en-2-amine;ethane is CC.[H]/N=C(C)/C(Cl)=C(/C)N.
What is the InChIKey of (E)-3-chloro-4-iminopent-2-en-2-amine;ethane?
The InChIKey is KWRRIYSZODSNSV-JOYMDKBYSA-N. The full InChI is InChI=1S/C5H9ClN2.C2H6/c1-3(7)5(6)4(2)8;1-2/h7H,8H2,1-2H3;1-2H3/b5-4+,7-3+;.
What are the key properties of (E)-3-chloro-4-iminopent-2-en-2-amine;ethane?
(E)-3-chloro-4-iminopent-2-en-2-amine;ethane has a molecular weight of 162.66 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloro-4-iminopent-2-en-2-amine;ethane is sourced from PubChem (CID 143061523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).