cyclohexanamine;3-methoxyprop-1-yne

C10H19NO — CID 145333221

IUPACcyclohexanamine;3-methoxyprop-1-yne
SMILESC#CCOC.NC1CCCCC1
InChIInChI=1S/C6H13N.C4H6O/c7-6-4-2-1-3-5-6;1-3-4-5-2/h6H,1-5,7H2;1H,4H2,2H3
InChIKeyQGUMMQJZLQPRJS-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.54
Rot. Bonds1

About cyclohexanamine;3-methoxyprop-1-yne

cyclohexanamine;3-methoxyprop-1-yne (PubChem CID 145333221) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is cyclohexanamine;3-methoxyprop-1-yne.

Molecular Properties

Compound Namecyclohexanamine;3-methoxyprop-1-yne
PubChem CID145333221
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Namecyclohexanamine;3-methoxyprop-1-yne
SMILESC#CCOC.NC1CCCCC1
InChIInChI=1S/C6H13N.C4H6O/c7-6-4-2-1-3-5-6;1-3-4-5-2/h6H,1-5,7H2;1H,4H2,2H3
InChIKeyQGUMMQJZLQPRJS-UHFFFAOYSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 cyclohexanamine;3-methoxyprop-1-yne?
The IUPAC name of cyclohexanamine;3-methoxyprop-1-yne (CID 145333221) is cyclohexanamine;3-methoxyprop-1-yne.
What is the SMILES notation for cyclohexanamine;3-methoxyprop-1-yne?
The canonical SMILES for cyclohexanamine;3-methoxyprop-1-yne is C#CCOC.NC1CCCCC1.
What is the InChIKey of cyclohexanamine;3-methoxyprop-1-yne?
The InChIKey is QGUMMQJZLQPRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C4H6O/c7-6-4-2-1-3-5-6;1-3-4-5-2/h6H,1-5,7H2;1H,4H2,2H3.
What are the key properties of cyclohexanamine;3-methoxyprop-1-yne?
cyclohexanamine;3-methoxyprop-1-yne has a molecular weight of 169.27 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;3-methoxyprop-1-yne is sourced from PubChem (CID 145333221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).