1-aminocyclohexane-1-carbaldehyde;ethane

C9H19NO — CID 145148133

IUPAC1-aminocyclohexane-1-carbaldehyde;ethane
SMILESCC.NC1(C=O)CCCCC1
InChIInChI=1S/C7H13NO.C2H6/c8-7(6-9)4-2-1-3-5-7;1-2/h6H,1-5,8H2;1-2H3
InChIKeyZYTRNPWTJNNCPH-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.87
Rot. Bonds1

About 1-aminocyclohexane-1-carbaldehyde;ethane

1-aminocyclohexane-1-carbaldehyde;ethane (PubChem CID 145148133) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-aminocyclohexane-1-carbaldehyde;ethane.

Molecular Properties

Compound Name1-aminocyclohexane-1-carbaldehyde;ethane
PubChem CID145148133
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-aminocyclohexane-1-carbaldehyde;ethane
SMILESCC.NC1(C=O)CCCCC1
InChIInChI=1S/C7H13NO.C2H6/c8-7(6-9)4-2-1-3-5-7;1-2/h6H,1-5,8H2;1-2H3
InChIKeyZYTRNPWTJNNCPH-UHFFFAOYSA-N
XLogP1.87
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-aminocyclohexane-1-carbaldehyde;ethane?
The IUPAC name of 1-aminocyclohexane-1-carbaldehyde;ethane (CID 145148133) is 1-aminocyclohexane-1-carbaldehyde;ethane.
What is the SMILES notation for 1-aminocyclohexane-1-carbaldehyde;ethane?
The canonical SMILES for 1-aminocyclohexane-1-carbaldehyde;ethane is CC.NC1(C=O)CCCCC1.
What is the InChIKey of 1-aminocyclohexane-1-carbaldehyde;ethane?
The InChIKey is ZYTRNPWTJNNCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C2H6/c8-7(6-9)4-2-1-3-5-7;1-2/h6H,1-5,8H2;1-2H3.
What are the key properties of 1-aminocyclohexane-1-carbaldehyde;ethane?
1-aminocyclohexane-1-carbaldehyde;ethane has a molecular weight of 157.26 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminocyclohexane-1-carbaldehyde;ethane is sourced from PubChem (CID 145148133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).