ethane;4-methyl-2-[[methyl-(2-methylcyclopentyl)amino]methyl]piperazine-1-carbaldehyde

C16H33N3O — CID 145416347

IUPACethane;4-methyl-2-[[methyl-(2-methylcyclopentyl)amino]methyl]piperazine-1-carbaldehyde
SMILESCC.CC1CCCC1N(C)CC1CN(C)CCN1C=O
InChIInChI=1S/C14H27N3O.C2H6/c1-12-5-4-6-14(12)16(3)10-13-9-15(2)7-8-17(13)11-18;1-2/h11-14H,4-10H2,1-3H3;1-2H3
InChIKeyJVFVBISNIHHXAQ-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.91
Rot. Bonds4

About ethane;4-methyl-2-[[methyl-(2-methylcyclopentyl)amino]methyl]piperazine-1-carbaldehyde

ethane;4-methyl-2-[[methyl-(2-methylcyclopentyl)amino]methyl]piperazine-1-carbaldehyde (PubChem CID 145416347) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is ethane;4-methyl-2-[[methyl-(2-methylcyclopentyl)amino]methyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Nameethane;4-methyl-2-[[methyl-(2-methylcyclopentyl)amino]methyl]piperazine-1-carbaldehyde
PubChem CID145416347
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Nameethane;4-methyl-2-[[methyl-(2-methylcyclopentyl)amino]methyl]piperazine-1-carbaldehyde
SMILESCC.CC1CCCC1N(C)CC1CN(C)CCN1C=O
InChIInChI=1S/C14H27N3O.C2H6/c1-12-5-4-6-14(12)16(3)10-13-9-15(2)7-8-17(13)11-18;1-2/h11-14H,4-10H2,1-3H3;1-2H3
InChIKeyJVFVBISNIHHXAQ-UHFFFAOYSA-N
XLogP1.91
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;4-methyl-2-[[methyl-(2-methylcyclopentyl)amino]methyl]piperazine-1-carbaldehyde 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-(1,2,2,5,6-pentamethylpiperidin-4-yl)-N-pentylformamide
CID 118430708
4-(Cyclopentylmethyl)piperazine-1-carbaldehyde
CID 82076147
4-Methyl-2-[[methyl-(2-methylcyclopentyl)amino]methyl]piperazine-1-carbaldehyde
CID 145416348
4-(3-Ethylcyclopentyl)piperazine-1-carbaldehyde
CID 177362908

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-2-[[methyl-(2-methylcyclopentyl)amino]methyl]piperazine-1-carbaldehyde?
The IUPAC name of ethane;4-methyl-2-[[methyl-(2-methylcyclopentyl)amino]methyl]piperazine-1-carbaldehyde (CID 145416347) is ethane;4-methyl-2-[[methyl-(2-methylcyclopentyl)amino]methyl]piperazine-1-carbaldehyde.
What is the SMILES notation for ethane;4-methyl-2-[[methyl-(2-methylcyclopentyl)amino]methyl]piperazine-1-carbaldehyde?
The canonical SMILES for ethane;4-methyl-2-[[methyl-(2-methylcyclopentyl)amino]methyl]piperazine-1-carbaldehyde is CC.CC1CCCC1N(C)CC1CN(C)CCN1C=O.
What is the InChIKey of ethane;4-methyl-2-[[methyl-(2-methylcyclopentyl)amino]methyl]piperazine-1-carbaldehyde?
The InChIKey is JVFVBISNIHHXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O.C2H6/c1-12-5-4-6-14(12)16(3)10-13-9-15(2)7-8-17(13)11-18;1-2/h11-14H,4-10H2,1-3H3;1-2H3.
What are the key properties of ethane;4-methyl-2-[[methyl-(2-methylcyclopentyl)amino]methyl]piperazine-1-carbaldehyde?
ethane;4-methyl-2-[[methyl-(2-methylcyclopentyl)amino]methyl]piperazine-1-carbaldehyde has a molecular weight of 283.46 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-2-[[methyl-(2-methylcyclopentyl)amino]methyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 145416347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).