2-[(2-methoxycyclohex-2-en-1-ylidene)amino]ethanamine

C9H16N2O — CID 123579201

IUPAC2-[(2-methoxycyclohex-2-en-1-ylidene)amino]ethanamine
SMILESCOC1=CCCC/C1=N\CCN
InChIInChI=1S/C9H16N2O/c1-12-9-5-3-2-4-8(9)11-7-6-10/h5H,2-4,6-7,10H2,1H3/b11-8+
InChIKeyYVWWUXKTUROZBJ-DHZHZOJOSA-N
MW168.24 g/mol
LogP1.10
Rot. Bonds3

About 2-[(2-methoxycyclohex-2-en-1-ylidene)amino]ethanamine

2-[(2-methoxycyclohex-2-en-1-ylidene)amino]ethanamine (PubChem CID 123579201) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-[(2-methoxycyclohex-2-en-1-ylidene)amino]ethanamine.

Molecular Properties

Compound Name2-[(2-methoxycyclohex-2-en-1-ylidene)amino]ethanamine
PubChem CID123579201
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-[(2-methoxycyclohex-2-en-1-ylidene)amino]ethanamine
SMILESCOC1=CCCC/C1=N\CCN
InChIInChI=1S/C9H16N2O/c1-12-9-5-3-2-4-8(9)11-7-6-10/h5H,2-4,6-7,10H2,1H3/b11-8+
InChIKeyYVWWUXKTUROZBJ-DHZHZOJOSA-N
XLogP1.10
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-[(2-methoxycyclohex-2-en-1-ylidene)amino]ethanamine?
The IUPAC name of 2-[(2-methoxycyclohex-2-en-1-ylidene)amino]ethanamine (CID 123579201) is 2-[(2-methoxycyclohex-2-en-1-ylidene)amino]ethanamine.
What is the SMILES notation for 2-[(2-methoxycyclohex-2-en-1-ylidene)amino]ethanamine?
The canonical SMILES for 2-[(2-methoxycyclohex-2-en-1-ylidene)amino]ethanamine is COC1=CCCC/C1=N\CCN.
What is the InChIKey of 2-[(2-methoxycyclohex-2-en-1-ylidene)amino]ethanamine?
The InChIKey is YVWWUXKTUROZBJ-DHZHZOJOSA-N. The full InChI is InChI=1S/C9H16N2O/c1-12-9-5-3-2-4-8(9)11-7-6-10/h5H,2-4,6-7,10H2,1H3/b11-8+.
What are the key properties of 2-[(2-methoxycyclohex-2-en-1-ylidene)amino]ethanamine?
2-[(2-methoxycyclohex-2-en-1-ylidene)amino]ethanamine has a molecular weight of 168.24 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxycyclohex-2-en-1-ylidene)amino]ethanamine is sourced from PubChem (CID 123579201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).