1-[ethyl-[[2-(propylamino)cyclohexyl]methyl]amino]-2-methylpropan-2-ol

C16H34N2O — CID 79377489

IUPAC1-[ethyl-[[2-(propylamino)cyclohexyl]methyl]amino]-2-methylpropan-2-ol
SMILESCCCNC1CCCCC1CN(CC)CC(C)(C)O
InChIInChI=1S/C16H34N2O/c1-5-11-17-15-10-8-7-9-14(15)12-18(6-2)13-16(3,4)19/h14-15,17,19H,5-13H2,1-4H3
InChIKeyCUNRUCSXWCPDJE-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.64
Rot. Bonds8

About 1-[ethyl-[[2-(propylamino)cyclohexyl]methyl]amino]-2-methylpropan-2-ol

1-[ethyl-[[2-(propylamino)cyclohexyl]methyl]amino]-2-methylpropan-2-ol (PubChem CID 79377489) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-[ethyl-[[2-(propylamino)cyclohexyl]methyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl-[[2-(propylamino)cyclohexyl]methyl]amino]-2-methylpropan-2-ol
PubChem CID79377489
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name1-[ethyl-[[2-(propylamino)cyclohexyl]methyl]amino]-2-methylpropan-2-ol
SMILESCCCNC1CCCCC1CN(CC)CC(C)(C)O
InChIInChI=1S/C16H34N2O/c1-5-11-17-15-10-8-7-9-14(15)12-18(6-2)13-16(3,4)19/h14-15,17,19H,5-13H2,1-4H3
InChIKeyCUNRUCSXWCPDJE-UHFFFAOYSA-N
XLogP2.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[ethyl-[[2-(propylamino)cyclohexyl]methyl]amino]-2-methylpropan-2-ol 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

2-[[butyl(ethyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62616700
N-ethyl-N-[[2-(propylamino)cyclopentyl]methyl]cyclohexanamine
CID 62615159
2-[methyl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol
CID 62614770
2-[2-(diethylamino)ethyl]-N-propylcyclopentan-1-amine
CID 79569636
2-[[cycloheptyl(methyl)amino]methyl]-N-propylcycloheptan-1-amine
CID 63493452
2-[[cyclohexyl(methyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62615295
2-[[bis(2-ethoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 82939975
2-[pentan-3-yl-[[2-(propylamino)cyclohexyl]methyl]amino]ethanol
CID 62616036
2-[[cyclobutylmethyl(ethyl)amino]methyl]-N-ethylcyclohexan-1-amine
CID 107401671
4-tert-butyl-2-[[ethyl(propyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63483435
4-(diethylaminomethyl)-N-propyloxolan-3-amine
CID 66256952
2-[[cyclobutylmethyl(ethyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 107401526

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-[[2-(propylamino)cyclohexyl]methyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl-[[2-(propylamino)cyclohexyl]methyl]amino]-2-methylpropan-2-ol (CID 79377489) is 1-[ethyl-[[2-(propylamino)cyclohexyl]methyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl-[[2-(propylamino)cyclohexyl]methyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl-[[2-(propylamino)cyclohexyl]methyl]amino]-2-methylpropan-2-ol is CCCNC1CCCCC1CN(CC)CC(C)(C)O.
What is the InChIKey of 1-[ethyl-[[2-(propylamino)cyclohexyl]methyl]amino]-2-methylpropan-2-ol?
The InChIKey is CUNRUCSXWCPDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-11-17-15-10-8-7-9-14(15)12-18(6-2)13-16(3,4)19/h14-15,17,19H,5-13H2,1-4H3.
What are the key properties of 1-[ethyl-[[2-(propylamino)cyclohexyl]methyl]amino]-2-methylpropan-2-ol?
1-[ethyl-[[2-(propylamino)cyclohexyl]methyl]amino]-2-methylpropan-2-ol has a molecular weight of 270.46 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-[[2-(propylamino)cyclohexyl]methyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 79377489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).