3-[(1-methylcyclohexyl)amino]butanal

C11H21NO — CID 155209046

IUPAC3-[(1-methylcyclohexyl)amino]butanal
SMILESCC(CC=O)NC1(C)CCCCC1
InChIInChI=1S/C11H21NO/c1-10(6-9-13)12-11(2)7-4-3-5-8-11/h9-10,12H,3-8H2,1-2H3
InChIKeyCZFVOURFXOGFFV-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.28
Rot. Bonds4

About 3-[(1-methylcyclohexyl)amino]butanal

3-[(1-methylcyclohexyl)amino]butanal (PubChem CID 155209046) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-[(1-methylcyclohexyl)amino]butanal.

Molecular Properties

Compound Name3-[(1-methylcyclohexyl)amino]butanal
PubChem CID155209046
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-[(1-methylcyclohexyl)amino]butanal
SMILESCC(CC=O)NC1(C)CCCCC1
InChIInChI=1S/C11H21NO/c1-10(6-9-13)12-11(2)7-4-3-5-8-11/h9-10,12H,3-8H2,1-2H3
InChIKeyCZFVOURFXOGFFV-UHFFFAOYSA-N
XLogP2.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.28
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 3-[(1-methylcyclohexyl)amino]butanal?
The IUPAC name of 3-[(1-methylcyclohexyl)amino]butanal (CID 155209046) is 3-[(1-methylcyclohexyl)amino]butanal.
What is the SMILES notation for 3-[(1-methylcyclohexyl)amino]butanal?
The canonical SMILES for 3-[(1-methylcyclohexyl)amino]butanal is CC(CC=O)NC1(C)CCCCC1.
What is the InChIKey of 3-[(1-methylcyclohexyl)amino]butanal?
The InChIKey is CZFVOURFXOGFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(6-9-13)12-11(2)7-4-3-5-8-11/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 3-[(1-methylcyclohexyl)amino]butanal?
3-[(1-methylcyclohexyl)amino]butanal has a molecular weight of 183.29 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylcyclohexyl)amino]butanal is sourced from PubChem (CID 155209046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).