N-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)oxyethanamine;hydrochloride

C12H28ClNO — CID 173239320

IUPACN-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)oxyethanamine;hydrochloride
SMILESCCNOC(C(C)C)(C(C)C)C(C)C.Cl
InChIInChI=1S/C12H27NO.ClH/c1-8-13-14-12(9(2)3,10(4)5)11(6)7;/h9-11,13H,8H2,1-7H3;1H
InChIKeyHDCIOSFRFCLOND-UHFFFAOYSA-N
MW237.81 g/mol
LogP3.66
Rot. Bonds6

About N-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)oxyethanamine;hydrochloride

N-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)oxyethanamine;hydrochloride (PubChem CID 173239320) has the molecular formula C12H28ClNO and a molecular weight of 237.81 g/mol. Its IUPAC name is N-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)oxyethanamine;hydrochloride.

Molecular Properties

Compound NameN-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)oxyethanamine;hydrochloride
PubChem CID173239320
Molecular FormulaC12H28ClNO
Molecular Weight237.81 g/mol
Exact Mass237.19
IUPAC NameN-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)oxyethanamine;hydrochloride
SMILESCCNOC(C(C)C)(C(C)C)C(C)C.Cl
InChIInChI=1S/C12H27NO.ClH/c1-8-13-14-12(9(2)3,10(4)5)11(6)7;/h9-11,13H,8H2,1-7H3;1H
InChIKeyHDCIOSFRFCLOND-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.81
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)oxyethanamine;hydrochloride 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

3-(ethylaminooxy)-3-methylbutan-2-one
CID 90967748
3-ethyl-3-methoxy-2-methylpentane
CID 23384914
N-(1-amino-2,3-dimethylbutan-2-yl)-3-ethoxypropanamide;hydrochloride
CID 119606115
1-(ethylamino)ethyl acetate;hydrochloride
CID 174667406
3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-3-ethyl-2-methylpentane
CID 90397567
3,3-diethoxy-2,4-dimethylpentane
CID 11788732
N-ethyl-2-methyl-3-silylpentan-3-amine
CID 173064739
1,3-diethoxy-2-(ethoxymethyl)-N-propan-2-ylpropan-2-amine
CID 166780842
2-(ethylamino)-3-methyl-2-propan-2-ylbutan-1-ol
CID 174847311
2-(ethylamino)-3-methyl-2-propan-2-ylbutanenitrile
CID 141254263
(2R)-2-(ethylamino)propanoic acid;hydrochloride
CID 87428202
N-ethyl-3-methoxy-2-methylbutan-2-amine
CID 118495888

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)oxyethanamine;hydrochloride?
The IUPAC name of N-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)oxyethanamine;hydrochloride (CID 173239320) is N-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)oxyethanamine;hydrochloride.
What is the SMILES notation for N-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)oxyethanamine;hydrochloride?
The canonical SMILES for N-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)oxyethanamine;hydrochloride is CCNOC(C(C)C)(C(C)C)C(C)C.Cl.
What is the InChIKey of N-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)oxyethanamine;hydrochloride?
The InChIKey is HDCIOSFRFCLOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO.ClH/c1-8-13-14-12(9(2)3,10(4)5)11(6)7;/h9-11,13H,8H2,1-7H3;1H.
What are the key properties of N-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)oxyethanamine;hydrochloride?
N-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)oxyethanamine;hydrochloride has a molecular weight of 237.81 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)oxyethanamine;hydrochloride is sourced from PubChem (CID 173239320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).