7-iminooctan-1-amine

C8H18N2 — CID 174433043

IUPAC7-iminooctan-1-amine
SMILES[H]/N=C(\C)CCCCCCN
InChIInChI=1S/C8H18N2/c1-8(10)6-4-2-3-5-7-9/h10H,2-7,9H2,1H3/b10-8+
InChIKeyIMKAGQDJZHNKSA-CSKARUKUSA-N
MW142.25 g/mol
LogP1.94
Rot. Bonds6

About 7-iminooctan-1-amine

7-iminooctan-1-amine (PubChem CID 174433043) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 7-iminooctan-1-amine.

Molecular Properties

Compound Name7-iminooctan-1-amine
PubChem CID174433043
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name7-iminooctan-1-amine
SMILES[H]/N=C(\C)CCCCCCN
InChIInChI=1S/C8H18N2/c1-8(10)6-4-2-3-5-7-9/h10H,2-7,9H2,1H3/b10-8+
InChIKeyIMKAGQDJZHNKSA-CSKARUKUSA-N
XLogP1.94
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Propyl-2,3,4,5-tetrahydropyridin-1-ium
CID 25203721
2H-Azepine-7-pentanamine, 3,4,5,6-tetrahydro-
CID 80061
1,9-Diamino-3,7-diazononane
CID 88469838
8-Aminooctylideneazanium
CID 131801385
1,12-Diamino-4,9-diazododecane
CID 129760680
1-(6-Aminohexyl)hexamethylenimine
CID 129806084
4-Fluoro-8-iminononan-2-amine
CID 157903038
4,4-Difluoro-8-iminononan-2-amine
CID 157903039
9-Iminononan-1-amine
CID 54116704
6-Iminoheptan-1-amine
CID 54250278
3-Iminopentadecan-1-amine
CID 57014243
8-Iminooctan-1-amine
CID 57197661

Frequently Asked Questions

What is the IUPAC name of 7-iminooctan-1-amine?
The IUPAC name of 7-iminooctan-1-amine (CID 174433043) is 7-iminooctan-1-amine.
What is the SMILES notation for 7-iminooctan-1-amine?
The canonical SMILES for 7-iminooctan-1-amine is [H]/N=C(\C)CCCCCCN.
What is the InChIKey of 7-iminooctan-1-amine?
The InChIKey is IMKAGQDJZHNKSA-CSKARUKUSA-N. The full InChI is InChI=1S/C8H18N2/c1-8(10)6-4-2-3-5-7-9/h10H,2-7,9H2,1H3/b10-8+.
What are the key properties of 7-iminooctan-1-amine?
7-iminooctan-1-amine has a molecular weight of 142.25 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iminooctan-1-amine is sourced from PubChem (CID 174433043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).