acetylene;cyclohexane;methanamine

C9H19N — CID 143158269

IUPACacetylene;cyclohexane;methanamine
SMILESC#C.C1CCCCC1.CN
InChIInChI=1S/C6H12.C2H2.CH5N/c1-2-4-6-5-3-1;2*1-2/h1-6H2;1-2H;2H2,1H3
InChIKeyGTDPAHNQBCQRQH-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.16
Rot. Bonds

About acetylene;cyclohexane;methanamine

acetylene;cyclohexane;methanamine (PubChem CID 143158269) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is acetylene;cyclohexane;methanamine.

Molecular Properties

Compound Nameacetylene;cyclohexane;methanamine
PubChem CID143158269
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Nameacetylene;cyclohexane;methanamine
SMILESC#C.C1CCCCC1.CN
InChIInChI=1S/C6H12.C2H2.CH5N/c1-2-4-6-5-3-1;2*1-2/h1-6H2;1-2H;2H2,1H3
InChIKeyGTDPAHNQBCQRQH-UHFFFAOYSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetylene;cyclohexane;methanamine?
The IUPAC name of acetylene;cyclohexane;methanamine (CID 143158269) is acetylene;cyclohexane;methanamine.
What is the SMILES notation for acetylene;cyclohexane;methanamine?
The canonical SMILES for acetylene;cyclohexane;methanamine is C#C.C1CCCCC1.CN.
What is the InChIKey of acetylene;cyclohexane;methanamine?
The InChIKey is GTDPAHNQBCQRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C2H2.CH5N/c1-2-4-6-5-3-1;2*1-2/h1-6H2;1-2H;2H2,1H3.
What are the key properties of acetylene;cyclohexane;methanamine?
acetylene;cyclohexane;methanamine has a molecular weight of 141.26 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;cyclohexane;methanamine is sourced from PubChem (CID 143158269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).