non-6-yn-1-amine

C9H17N — CID 87675821

IUPACnon-6-yn-1-amine
SMILESCCC#CCCCCCN
InChIInChI=1S/C9H17N/c1-2-3-4-5-6-7-8-9-10/h2,5-10H2,1H3
InChIKeySLCFIHWVVKONOT-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.92
Rot. Bonds4

About non-6-yn-1-amine

non-6-yn-1-amine (PubChem CID 87675821) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is non-6-yn-1-amine.

Molecular Properties

Compound Namenon-6-yn-1-amine
PubChem CID87675821
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Namenon-6-yn-1-amine
SMILESCCC#CCCCCCN
InChIInChI=1S/C9H17N/c1-2-3-4-5-6-7-8-9-10/h2,5-10H2,1H3
InChIKeySLCFIHWVVKONOT-UHFFFAOYSA-N
XLogP1.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

octadec-5-yn-1-amine
CID 87547791
tridec-6-yn-1-amine
CID 15707496
dodec-4-yn-1-amine
CID 15707491
hexadeca-3,9-diyne
CID 54568863
hexacos-3-yne
CID 22223851
non-6-yn-1-ol
CID 3017913
methane;bis(oct-3-yne)
CID 159540057
henicos-8-yne
CID 22224321
undec-8-ynyl propanoate
CID 132532033
10-methylheptadec-3-yne
CID 22224077
hexane-1,6-diamine;methanamine
CID 174275715
1-fluorohex-3-yne
CID 54352510

Frequently Asked Questions

What is the IUPAC name of non-6-yn-1-amine?
The IUPAC name of non-6-yn-1-amine (CID 87675821) is non-6-yn-1-amine.
What is the SMILES notation for non-6-yn-1-amine?
The canonical SMILES for non-6-yn-1-amine is CCC#CCCCCCN.
What is the InChIKey of non-6-yn-1-amine?
The InChIKey is SLCFIHWVVKONOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-2-3-4-5-6-7-8-9-10/h2,5-10H2,1H3.
What are the key properties of non-6-yn-1-amine?
non-6-yn-1-amine has a molecular weight of 139.24 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for non-6-yn-1-amine is sourced from PubChem (CID 87675821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).