non-7-yn-3-amine

C9H17N — CID 64503451

IUPACnon-7-yn-3-amine
SMILESCC#CCCCC(N)CC
InChIInChI=1S/C9H17N/c1-3-5-6-7-8-9(10)4-2/h9H,4,6-8,10H2,1-2H3
InChIKeyOQUPWHKCRGAYRS-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.92
Rot. Bonds4

About non-7-yn-3-amine

non-7-yn-3-amine (PubChem CID 64503451) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is non-7-yn-3-amine.

Molecular Properties

Compound Namenon-7-yn-3-amine
PubChem CID64503451
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Namenon-7-yn-3-amine
SMILESCC#CCCCC(N)CC
InChIInChI=1S/C9H17N/c1-3-5-6-7-8-9(10)4-2/h9H,4,6-8,10H2,1-2H3
InChIKeyOQUPWHKCRGAYRS-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

7-methylnon-2-yne
CID 54177152
16-methyloctadec-2-yne
CID 166512411
undeca-2,9-diyne
CID 13351096
2,7-diaminononan-1-ol
CID 141295191
14-ethyloctacos-2-yne
CID 22224296
tridecan-3-amine
CID 19435959
17-methyloctadec-2-yne
CID 123546762
2-methyldec-8-yn-3-amine
CID 104811927
7-ethylundec-2-yn-6-amine
CID 105037082
tetradecan-3-amine;hydrobromide
CID 173393490
tetradecane-3,11-diamine
CID 170279817
tritriactan-3-amine;hydrochloride
CID 173389490

Frequently Asked Questions

What is the IUPAC name of non-7-yn-3-amine?
The IUPAC name of non-7-yn-3-amine (CID 64503451) is non-7-yn-3-amine.
What is the SMILES notation for non-7-yn-3-amine?
The canonical SMILES for non-7-yn-3-amine is CC#CCCCC(N)CC.
What is the InChIKey of non-7-yn-3-amine?
The InChIKey is OQUPWHKCRGAYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-3-5-6-7-8-9(10)4-2/h9H,4,6-8,10H2,1-2H3.
What are the key properties of non-7-yn-3-amine?
non-7-yn-3-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-7-yn-3-amine is sourced from PubChem (CID 64503451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).