3-(dimethylamino)cyclohexane-1-carbaldehyde

C9H17NO — CID 20585336

IUPAC3-(dimethylamino)cyclohexane-1-carbaldehyde
SMILESCN(C)C1CCCC(C=O)C1
InChIInChI=1S/C9H17NO/c1-10(2)9-5-3-4-8(6-9)7-11/h7-9H,3-6H2,1-2H3
InChIKeyRSKTUSYOHMEWHP-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.31
Rot. Bonds2

About 3-(dimethylamino)cyclohexane-1-carbaldehyde

3-(dimethylamino)cyclohexane-1-carbaldehyde (PubChem CID 20585336) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-(dimethylamino)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name3-(dimethylamino)cyclohexane-1-carbaldehyde
PubChem CID20585336
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-(dimethylamino)cyclohexane-1-carbaldehyde
SMILESCN(C)C1CCCC(C=O)C1
InChIInChI=1S/C9H17NO/c1-10(2)9-5-3-4-8(6-9)7-11/h7-9H,3-6H2,1-2H3
InChIKeyRSKTUSYOHMEWHP-UHFFFAOYSA-N
XLogP1.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexanecarboxaldehyde, 4-(dimethylamino)-
CID 258652
5-(Dipropylamino)-2-oxocyclohexane-1-carbaldehyde
CID 20228151
3-(dimethylamino)-N,N-dimethylcyclohexane-1-carboxamide
CID 20585337
Carbanide;(4-formylcyclohexyl)-methylazanide;tungsten(2+)
CID 20760606
Carbanide;methyl-[4-(2-oxoethyl)cyclohexyl]azanide;tungsten(2+)
CID 20760629
1-[3-(Diethylamino)cyclohexyl]propan-1-one
CID 57194193
1-[3-(Dipropylamino)cyclohexyl]ethanone
CID 57263210
1-[(3R)-3-(dipropylamino)cyclohexyl]ethanone
CID 67642895
1-[3-(Dipropylamino)cyclohexyl]propan-1-one
CID 67908451
1-[(3S)-3-(dipropylamino)cyclohexyl]ethanone
CID 67908683
4-(Dimethylamino)-2-methylcyclohexan-1-one
CID 70588687
4-[Dimethylaminomethyl]-cyclohexane-carbaldehyde
CID 86627886

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)cyclohexane-1-carbaldehyde?
The IUPAC name of 3-(dimethylamino)cyclohexane-1-carbaldehyde (CID 20585336) is 3-(dimethylamino)cyclohexane-1-carbaldehyde.
What is the SMILES notation for 3-(dimethylamino)cyclohexane-1-carbaldehyde?
The canonical SMILES for 3-(dimethylamino)cyclohexane-1-carbaldehyde is CN(C)C1CCCC(C=O)C1.
What is the InChIKey of 3-(dimethylamino)cyclohexane-1-carbaldehyde?
The InChIKey is RSKTUSYOHMEWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-10(2)9-5-3-4-8(6-9)7-11/h7-9H,3-6H2,1-2H3.
What are the key properties of 3-(dimethylamino)cyclohexane-1-carbaldehyde?
3-(dimethylamino)cyclohexane-1-carbaldehyde has a molecular weight of 155.24 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 20585336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).