2-[4-[(dimethylamino)methyl]cyclohexyl]acetaldehyde

C11H21NO — CID 87550039

IUPAC2-[4-[(dimethylamino)methyl]cyclohexyl]acetaldehyde
SMILESCN(C)CC1CCC(CC=O)CC1
InChIInChI=1S/C11H21NO/c1-12(2)9-11-5-3-10(4-6-11)7-8-13/h8,10-11H,3-7,9H2,1-2H3
InChIKeyGSMUVUIZLQIWSJ-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.94
Rot. Bonds4

About 2-[4-[(dimethylamino)methyl]cyclohexyl]acetaldehyde

2-[4-[(dimethylamino)methyl]cyclohexyl]acetaldehyde (PubChem CID 87550039) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 2-[4-[(dimethylamino)methyl]cyclohexyl]acetaldehyde.

Molecular Properties

Compound Name2-[4-[(dimethylamino)methyl]cyclohexyl]acetaldehyde
PubChem CID87550039
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name2-[4-[(dimethylamino)methyl]cyclohexyl]acetaldehyde
SMILESCN(C)CC1CCC(CC=O)CC1
InChIInChI=1S/C11H21NO/c1-12(2)9-11-5-3-10(4-6-11)7-8-13/h8,10-11H,3-7,9H2,1-2H3
InChIKeyGSMUVUIZLQIWSJ-UHFFFAOYSA-N
XLogP1.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.94
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
1-[(Dimethylamino)methyl]cyclohexanecarbaldehyde
CID 12927831
3-(Dimethylamino)cyclohexane-1-carbaldehyde
CID 20585336
Carbanide;methyl-[4-(2-oxoethyl)cyclohexyl]azanide;tungsten(2+)
CID 20760629
Methyl-[2-[4-(2-oxoethyl)cyclohexyl]ethyl]carbamic acid
CID 22280885
N,N-dimethyl-4-[3-(3-oxopropyl)cyclohexyl]butanamide
CID 53657973
5-(1-Hexylpyrrolidin-3-yl)pentanal
CID 53731153
4-(1-Butylpiperidin-4-yl)butanal
CID 54002027
2-[4-[(2R)-1-methylpyrrolidin-2-yl]cyclohexyl]acetaldehyde
CID 57861253
4-[(2R)-1-methylpyrrolidin-2-yl]cyclohexane-1-carbaldehyde
CID 57861267
3-Methyl-3-azaspiro[5.5]undecane-9-carbaldehyde
CID 58101767
1-(Diethylaminomethyl)cyclohexane-1-carbaldehyde
CID 62277122

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(dimethylamino)methyl]cyclohexyl]acetaldehyde?
The IUPAC name of 2-[4-[(dimethylamino)methyl]cyclohexyl]acetaldehyde (CID 87550039) is 2-[4-[(dimethylamino)methyl]cyclohexyl]acetaldehyde.
What is the SMILES notation for 2-[4-[(dimethylamino)methyl]cyclohexyl]acetaldehyde?
The canonical SMILES for 2-[4-[(dimethylamino)methyl]cyclohexyl]acetaldehyde is CN(C)CC1CCC(CC=O)CC1.
What is the InChIKey of 2-[4-[(dimethylamino)methyl]cyclohexyl]acetaldehyde?
The InChIKey is GSMUVUIZLQIWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-12(2)9-11-5-3-10(4-6-11)7-8-13/h8,10-11H,3-7,9H2,1-2H3.
What are the key properties of 2-[4-[(dimethylamino)methyl]cyclohexyl]acetaldehyde?
2-[4-[(dimethylamino)methyl]cyclohexyl]acetaldehyde has a molecular weight of 183.30 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(dimethylamino)methyl]cyclohexyl]acetaldehyde is sourced from PubChem (CID 87550039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).