2-[4-(ethylaminomethyl)cyclohexyl]acetaldehyde

C11H21NO — CID 87141647

IUPAC2-[4-(ethylaminomethyl)cyclohexyl]acetaldehyde
SMILESCCNCC1CCC(CC=O)CC1
InChIInChI=1S/C11H21NO/c1-2-12-9-11-5-3-10(4-6-11)7-8-13/h8,10-12H,2-7,9H2,1H3
InChIKeyXVMVBPSRAOLPPZ-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.99
Rot. Bonds5

About 2-[4-(ethylaminomethyl)cyclohexyl]acetaldehyde

2-[4-(ethylaminomethyl)cyclohexyl]acetaldehyde (PubChem CID 87141647) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-[4-(ethylaminomethyl)cyclohexyl]acetaldehyde.

Molecular Properties

Compound Name2-[4-(ethylaminomethyl)cyclohexyl]acetaldehyde
PubChem CID87141647
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-[4-(ethylaminomethyl)cyclohexyl]acetaldehyde
SMILESCCNCC1CCC(CC=O)CC1
InChIInChI=1S/C11H21NO/c1-2-12-9-11-5-3-10(4-6-11)7-8-13/h8,10-12H,2-7,9H2,1H3
InChIKeyXVMVBPSRAOLPPZ-UHFFFAOYSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorocyclohexyl)methyl]ethanamine
CID 143499030
N-(cyclobutylmethyl)ethanamine;ethane
CID 171530006
N-[(4-butylcyclohexyl)methyl]ethanamine
CID 43163710
N-[4-(ethylaminomethyl)cyclohexyl]acetamide
CID 118947012
N-[4-(2-oxoethyl)cyclohexyl]acetamide
CID 59464618
2-[4-(tert-butylamino)cyclohexyl]acetaldehyde
CID 175732114
2-(oxan-4-yl)acetaldehyde;propane
CID 145213291
4-(2-oxoethyl)cyclohexane-1-carboxamide
CID 87477686
N-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63848050
N-[[1-(cyclopropylmethylsulfonyl)piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119998792
methyl 4-(aminomethyl)cyclohexane-1-carboxylate;methyl 4-(ethylaminomethyl)cyclohexane-1-carboxylate;hydrochloride
CID 158090259
cyclopropyl-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80552531

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylaminomethyl)cyclohexyl]acetaldehyde?
The IUPAC name of 2-[4-(ethylaminomethyl)cyclohexyl]acetaldehyde (CID 87141647) is 2-[4-(ethylaminomethyl)cyclohexyl]acetaldehyde.
What is the SMILES notation for 2-[4-(ethylaminomethyl)cyclohexyl]acetaldehyde?
The canonical SMILES for 2-[4-(ethylaminomethyl)cyclohexyl]acetaldehyde is CCNCC1CCC(CC=O)CC1.
What is the InChIKey of 2-[4-(ethylaminomethyl)cyclohexyl]acetaldehyde?
The InChIKey is XVMVBPSRAOLPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-12-9-11-5-3-10(4-6-11)7-8-13/h8,10-12H,2-7,9H2,1H3.
What are the key properties of 2-[4-(ethylaminomethyl)cyclohexyl]acetaldehyde?
2-[4-(ethylaminomethyl)cyclohexyl]acetaldehyde has a molecular weight of 183.29 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylaminomethyl)cyclohexyl]acetaldehyde is sourced from PubChem (CID 87141647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).