(1Z)-1-(2-iminocycloheptylidene)ethanamine

C9H16N2 — CID 126606135

IUPAC(1Z)-1-(2-iminocycloheptylidene)ethanamine
SMILES[H]/N=C1\CCCCC\C1=C(/C)N
InChIInChI=1S/C9H16N2/c1-7(10)8-5-3-2-4-6-9(8)11/h11H,2-6,10H2,1H3/b8-7-,11-9+
InChIKeyHIYYKPNBLQSGIQ-NSXXKTIASA-N
MW152.24 g/mol
LogP2.20
Rot. Bonds

About (1Z)-1-(2-iminocycloheptylidene)ethanamine

(1Z)-1-(2-iminocycloheptylidene)ethanamine (PubChem CID 126606135) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (1Z)-1-(2-iminocycloheptylidene)ethanamine.

Molecular Properties

Compound Name(1Z)-1-(2-iminocycloheptylidene)ethanamine
PubChem CID126606135
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(1Z)-1-(2-iminocycloheptylidene)ethanamine
SMILES[H]/N=C1\CCCCC\C1=C(/C)N
InChIInChI=1S/C9H16N2/c1-7(10)8-5-3-2-4-6-9(8)11/h11H,2-6,10H2,1H3/b8-7-,11-9+
InChIKeyHIYYKPNBLQSGIQ-NSXXKTIASA-N
XLogP2.20
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.20
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 (1Z)-1-(2-iminocycloheptylidene)ethanamine?
The IUPAC name of (1Z)-1-(2-iminocycloheptylidene)ethanamine (CID 126606135) is (1Z)-1-(2-iminocycloheptylidene)ethanamine.
What is the SMILES notation for (1Z)-1-(2-iminocycloheptylidene)ethanamine?
The canonical SMILES for (1Z)-1-(2-iminocycloheptylidene)ethanamine is [H]/N=C1\CCCCC\C1=C(/C)N.
What is the InChIKey of (1Z)-1-(2-iminocycloheptylidene)ethanamine?
The InChIKey is HIYYKPNBLQSGIQ-NSXXKTIASA-N. The full InChI is InChI=1S/C9H16N2/c1-7(10)8-5-3-2-4-6-9(8)11/h11H,2-6,10H2,1H3/b8-7-,11-9+.
What are the key properties of (1Z)-1-(2-iminocycloheptylidene)ethanamine?
(1Z)-1-(2-iminocycloheptylidene)ethanamine has a molecular weight of 152.24 g/mol, XLogP of 2.20, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(2-iminocycloheptylidene)ethanamine is sourced from PubChem (CID 126606135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).