(3Z)-5-chloro-N-methylhexa-1,3,5-trien-2-amine

C7H10ClN — CID 142207464

IUPAC(3Z)-5-chloro-N-methylhexa-1,3,5-trien-2-amine
SMILESC=C(Cl)/C=C\C(=C)NC
InChIInChI=1S/C7H10ClN/c1-6(8)4-5-7(2)9-3/h4-5,9H,1-2H2,3H3/b5-4-
InChIKeyRVBYTDODUBEEBO-PLNGDYQASA-N
MW143.62 g/mol
LogP2.03
Rot. Bonds3

About (3Z)-5-chloro-N-methylhexa-1,3,5-trien-2-amine

(3Z)-5-chloro-N-methylhexa-1,3,5-trien-2-amine (PubChem CID 142207464) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is (3Z)-5-chloro-N-methylhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z)-5-chloro-N-methylhexa-1,3,5-trien-2-amine
PubChem CID142207464
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC Name(3Z)-5-chloro-N-methylhexa-1,3,5-trien-2-amine
SMILESC=C(Cl)/C=C\C(=C)NC
InChIInChI=1S/C7H10ClN/c1-6(8)4-5-7(2)9-3/h4-5,9H,1-2H2,3H3/b5-4-
InChIKeyRVBYTDODUBEEBO-PLNGDYQASA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.62
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-chloro-N-methylhexa-1,3,5-trien-2-amine?
The IUPAC name of (3Z)-5-chloro-N-methylhexa-1,3,5-trien-2-amine (CID 142207464) is (3Z)-5-chloro-N-methylhexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z)-5-chloro-N-methylhexa-1,3,5-trien-2-amine?
The canonical SMILES for (3Z)-5-chloro-N-methylhexa-1,3,5-trien-2-amine is C=C(Cl)/C=C\C(=C)NC.
What is the InChIKey of (3Z)-5-chloro-N-methylhexa-1,3,5-trien-2-amine?
The InChIKey is RVBYTDODUBEEBO-PLNGDYQASA-N. The full InChI is InChI=1S/C7H10ClN/c1-6(8)4-5-7(2)9-3/h4-5,9H,1-2H2,3H3/b5-4-.
What are the key properties of (3Z)-5-chloro-N-methylhexa-1,3,5-trien-2-amine?
(3Z)-5-chloro-N-methylhexa-1,3,5-trien-2-amine has a molecular weight of 143.62 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-chloro-N-methylhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 142207464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).