2-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-ethylbutan-1-ol

C16H34N2O — CID 81412002

IUPAC2-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNCC1(N(C)C)CCCCC1
InChIInChI=1S/C16H34N2O/c1-5-15(6-2,14-19)12-17-13-16(18(3)4)10-8-7-9-11-16/h17,19H,5-14H2,1-4H3
InChIKeyCPOXPHDYEULNER-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.64
Rot. Bonds8

About 2-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-ethylbutan-1-ol

2-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-ethylbutan-1-ol (PubChem CID 81412002) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-ethylbutan-1-ol
PubChem CID81412002
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNCC1(N(C)C)CCCCC1
InChIInChI=1S/C16H34N2O/c1-5-15(6-2,14-19)12-17-13-16(18(3)4)10-8-7-9-11-16/h17,19H,5-14H2,1-4H3
InChIKeyCPOXPHDYEULNER-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 2-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-ethylbutan-1-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-ethyl-2-[[(2-methyloxolan-2-yl)methylamino]methyl]butan-1-ol
CID 81419974
(2S)-3-[[1-(dimethylamino)cyclopentyl]methylamino]propane-1,2-diol
CID 83120398
1-(azepan-1-yl)-2-[[1-(dimethylamino)cyclopentyl]methylamino]ethanone
CID 78915392
4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2,6-difluorophenol
CID 79832433
N,N-dimethyl-1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclohexan-1-amine
CID 62654686
1-[[2-(2-methoxyethoxy)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine
CID 112752546
N,N-dimethyl-1-[(2-methylidenebutylamino)methyl]cyclobutan-1-amine
CID 105416854
1-[(2-bromoprop-2-enylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 83121523
[5-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]furan-2-yl]methanol
CID 64579359
2-(1-aminocyclohexyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide
CID 106255433
N-carbamoyl-2-[[1-(dimethylamino)cyclopentyl]methylamino]acetamide
CID 78915468
1-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]cyclobutane-1-carboxamide
CID 83111018

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-ethylbutan-1-ol (CID 81412002) is 2-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNCC1(N(C)C)CCCCC1.
What is the InChIKey of 2-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-ethylbutan-1-ol?
The InChIKey is CPOXPHDYEULNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-15(6-2,14-19)12-17-13-16(18(3)4)10-8-7-9-11-16/h17,19H,5-14H2,1-4H3.
What are the key properties of 2-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-ethylbutan-1-ol?
2-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-ethylbutan-1-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 2-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 81412002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).