2-iminocyclooct-3-en-1-amine

C8H14N2 — CID 91450052

IUPAC2-iminocyclooct-3-en-1-amine
SMILES[H]/N=C1\C=CCCCCC1N
InChIInChI=1S/C8H14N2/c9-7-5-3-1-2-4-6-8(7)10/h3,5,8-9H,1-2,4,6,10H2/b5-3?,9-7+
InChIKeyQRNLPXMUKKKZGC-UCFJBRMLSA-N
MW138.21 g/mol
LogP1.46
Rot. Bonds

About 2-iminocyclooct-3-en-1-amine

2-iminocyclooct-3-en-1-amine (PubChem CID 91450052) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-iminocyclooct-3-en-1-amine.

Molecular Properties

Compound Name2-iminocyclooct-3-en-1-amine
PubChem CID91450052
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-iminocyclooct-3-en-1-amine
SMILES[H]/N=C1\C=CCCCCC1N
InChIInChI=1S/C8H14N2/c9-7-5-3-1-2-4-6-8(7)10/h3,5,8-9H,1-2,4,6,10H2/b5-3?,9-7+
InChIKeyQRNLPXMUKKKZGC-UCFJBRMLSA-N
XLogP1.46
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Iminocyclohex-3-en-1-amine
CID 91537045
4-Iminocyclohex-2-en-1-amine
CID 123227294
1-(6-Iminocyclohexen-1-yl)ethanamine
CID 123374353
1-(3-Iminocyclohexen-1-yl)ethanamine
CID 123703939
(4Z)-4-ethylidene-3-iminodecan-5-amine
CID 132036830
N-[(4Z,8Z)-12-aminocyclododeca-4,8-dien-1-ylidene]hydroxylamine
CID 139911810
N-[(4Z,8Z)-2-aminocyclododeca-4,8-dien-1-ylidene]hydroxylamine
CID 139911811
Cyclohexanamine;cyclohex-2-en-1-imine
CID 158008315

Frequently Asked Questions

What is the IUPAC name of 2-iminocyclooct-3-en-1-amine?
The IUPAC name of 2-iminocyclooct-3-en-1-amine (CID 91450052) is 2-iminocyclooct-3-en-1-amine.
What is the SMILES notation for 2-iminocyclooct-3-en-1-amine?
The canonical SMILES for 2-iminocyclooct-3-en-1-amine is [H]/N=C1\C=CCCCCC1N.
What is the InChIKey of 2-iminocyclooct-3-en-1-amine?
The InChIKey is QRNLPXMUKKKZGC-UCFJBRMLSA-N. The full InChI is InChI=1S/C8H14N2/c9-7-5-3-1-2-4-6-8(7)10/h3,5,8-9H,1-2,4,6,10H2/b5-3?,9-7+.
What are the key properties of 2-iminocyclooct-3-en-1-amine?
2-iminocyclooct-3-en-1-amine has a molecular weight of 138.21 g/mol, XLogP of 1.46, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iminocyclooct-3-en-1-amine is sourced from PubChem (CID 91450052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).