2-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-methylbutanal

C15H29NO — CID 62277389

IUPAC2-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-methylbutanal
SMILESCCC1CCC(N(C)CC(C)(C=O)CC)CC1
InChIInChI=1S/C15H29NO/c1-5-13-7-9-14(10-8-13)16(4)11-15(3,6-2)12-17/h12-14H,5-11H2,1-4H3
InChIKeyYHCUKQFNITYIPT-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.50
Rot. Bonds6

About 2-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-methylbutanal

2-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-methylbutanal (PubChem CID 62277389) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-methylbutanal.

Molecular Properties

Compound Name2-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-methylbutanal
PubChem CID62277389
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-methylbutanal
SMILESCCC1CCC(N(C)CC(C)(C=O)CC)CC1
InChIInChI=1S/C15H29NO/c1-5-13-7-9-14(10-8-13)16(4)11-15(3,6-2)12-17/h12-14H,5-11H2,1-4H3
InChIKeyYHCUKQFNITYIPT-UHFFFAOYSA-N
XLogP3.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-methylbutanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-bromo-2,2-dimethylpropyl)-4-ethyl-N-methylcyclohexan-1-amine
CID 65000192
2,2-diethyl-N'-(4-ethylcyclohexyl)-N'-methylpropane-1,3-diamine
CID 62260394
2-amino-3-[(4-ethylcyclohexyl)-methylamino]-2-methylpropan-1-ol
CID 64826223
methyl 3-[(4-ethylcyclohexyl)-methylamino]-2,2-dimethylpropanoate
CID 79621216
3-[(4-ethylcyclohexyl)-methylamino]-2,2-dimethylpropanehydrazide
CID 79631547
2-[[butyl(cyclopropyl)amino]methyl]-2-methylbutanal
CID 62275844
N-cyclopropyl-2,2-diethyl-N'-(4-ethylcyclohexyl)-N'-methylpropane-1,3-diamine
CID 63494314
2-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-2-methylbutanal
CID 79379227
2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-2-methylbutanal
CID 62275681
4-ethyl-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 155402155
2-cyclopropyl-2-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]propan-1-ol
CID 64826221
2-cyclopropyl-2-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]propanamide
CID 63916269

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-methylbutanal?
The IUPAC name of 2-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-methylbutanal (CID 62277389) is 2-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-methylbutanal.
What is the SMILES notation for 2-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-methylbutanal?
The canonical SMILES for 2-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-methylbutanal is CCC1CCC(N(C)CC(C)(C=O)CC)CC1.
What is the InChIKey of 2-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-methylbutanal?
The InChIKey is YHCUKQFNITYIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-5-13-7-9-14(10-8-13)16(4)11-15(3,6-2)12-17/h12-14H,5-11H2,1-4H3.
What are the key properties of 2-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-methylbutanal?
2-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-methylbutanal has a molecular weight of 239.40 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-methylbutanal is sourced from PubChem (CID 62277389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).