(E)-3-chloro-4-iminohex-2-en-2-amine

C6H11ClN2 — CID 155086766

IUPAC(E)-3-chloro-4-iminohex-2-en-2-amine
SMILES[H]/N=C(CC)/C(Cl)=C(/C)N
InChIInChI=1S/C6H11ClN2/c1-3-5(9)6(7)4(2)8/h9H,3,8H2,1-2H3/b6-4+,9-5+
InChIKeyBYSMTFUWWAKXMK-REZHQCRGSA-N
MW146.62 g/mol
LogP1.85
Rot. Bonds2

About (E)-3-chloro-4-iminohex-2-en-2-amine

(E)-3-chloro-4-iminohex-2-en-2-amine (PubChem CID 155086766) has the molecular formula C6H11ClN2 and a molecular weight of 146.62 g/mol. Its IUPAC name is (E)-3-chloro-4-iminohex-2-en-2-amine.

Molecular Properties

Compound Name(E)-3-chloro-4-iminohex-2-en-2-amine
PubChem CID155086766
Molecular FormulaC6H11ClN2
Molecular Weight146.62 g/mol
Exact Mass146.06
IUPAC Name(E)-3-chloro-4-iminohex-2-en-2-amine
SMILES[H]/N=C(CC)/C(Cl)=C(/C)N
InChIInChI=1S/C6H11ClN2/c1-3-5(9)6(7)4(2)8/h9H,3,8H2,1-2H3/b6-4+,9-5+
InChIKeyBYSMTFUWWAKXMK-REZHQCRGSA-N
XLogP1.85
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.62
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-chloro-4-iminohex-2-en-2-amine?
The IUPAC name of (E)-3-chloro-4-iminohex-2-en-2-amine (CID 155086766) is (E)-3-chloro-4-iminohex-2-en-2-amine.
What is the SMILES notation for (E)-3-chloro-4-iminohex-2-en-2-amine?
The canonical SMILES for (E)-3-chloro-4-iminohex-2-en-2-amine is [H]/N=C(CC)/C(Cl)=C(/C)N.
What is the InChIKey of (E)-3-chloro-4-iminohex-2-en-2-amine?
The InChIKey is BYSMTFUWWAKXMK-REZHQCRGSA-N. The full InChI is InChI=1S/C6H11ClN2/c1-3-5(9)6(7)4(2)8/h9H,3,8H2,1-2H3/b6-4+,9-5+.
What are the key properties of (E)-3-chloro-4-iminohex-2-en-2-amine?
(E)-3-chloro-4-iminohex-2-en-2-amine has a molecular weight of 146.62 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloro-4-iminohex-2-en-2-amine is sourced from PubChem (CID 155086766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).