(Z)-4-chloroimino-N-methylhept-5-en-3-amine

C8H15ClN2 — CID 123244751

IUPAC(Z)-4-chloroimino-N-methylhept-5-en-3-amine
SMILESC/C=C\C(=NCl)C(CC)NC
InChIInChI=1S/C8H15ClN2/c1-4-6-8(11-9)7(5-2)10-3/h4,6-7,10H,5H2,1-3H3/b6-4-,11-8?
InChIKeyHCPNCMMLODYMJQ-RTRXGCAWSA-N
MW174.68 g/mol
LogP2.16
Rot. Bonds4

About (Z)-4-chloroimino-N-methylhept-5-en-3-amine

(Z)-4-chloroimino-N-methylhept-5-en-3-amine (PubChem CID 123244751) has the molecular formula C8H15ClN2 and a molecular weight of 174.68 g/mol. Its IUPAC name is (Z)-4-chloroimino-N-methylhept-5-en-3-amine.

Molecular Properties

Compound Name(Z)-4-chloroimino-N-methylhept-5-en-3-amine
PubChem CID123244751
Molecular FormulaC8H15ClN2
Molecular Weight174.68 g/mol
Exact Mass174.09
IUPAC Name(Z)-4-chloroimino-N-methylhept-5-en-3-amine
SMILESC/C=C\C(=NCl)C(CC)NC
InChIInChI=1S/C8H15ClN2/c1-4-6-8(11-9)7(5-2)10-3/h4,6-7,10H,5H2,1-3H3/b6-4-,11-8?
InChIKeyHCPNCMMLODYMJQ-RTRXGCAWSA-N
XLogP2.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.68
LogP ≤ 52.16
H-Bond Donors ≤ 51
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 (Z)-4-chloroimino-N-methylhept-5-en-3-amine?
The IUPAC name of (Z)-4-chloroimino-N-methylhept-5-en-3-amine (CID 123244751) is (Z)-4-chloroimino-N-methylhept-5-en-3-amine.
What is the SMILES notation for (Z)-4-chloroimino-N-methylhept-5-en-3-amine?
The canonical SMILES for (Z)-4-chloroimino-N-methylhept-5-en-3-amine is C/C=C\C(=NCl)C(CC)NC.
What is the InChIKey of (Z)-4-chloroimino-N-methylhept-5-en-3-amine?
The InChIKey is HCPNCMMLODYMJQ-RTRXGCAWSA-N. The full InChI is InChI=1S/C8H15ClN2/c1-4-6-8(11-9)7(5-2)10-3/h4,6-7,10H,5H2,1-3H3/b6-4-,11-8?.
What are the key properties of (Z)-4-chloroimino-N-methylhept-5-en-3-amine?
(Z)-4-chloroimino-N-methylhept-5-en-3-amine has a molecular weight of 174.68 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-chloroimino-N-methylhept-5-en-3-amine is sourced from PubChem (CID 123244751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).