N-(2-methoxyethyl)-2,5,5-trimethyl-2-propylhexan-1-amine

C15H33NO — CID 55196240

IUPACN-(2-methoxyethyl)-2,5,5-trimethyl-2-propylhexan-1-amine
SMILESCCCC(C)(CCC(C)(C)C)CNCCOC
InChIInChI=1S/C15H33NO/c1-7-8-15(5,10-9-14(2,3)4)13-16-11-12-17-6/h16H,7-13H2,1-6H3
InChIKeyXKBCWAGEAMMYGE-UHFFFAOYSA-N
MW243.43 g/mol
LogP3.86
Rot. Bonds9

About N-(2-methoxyethyl)-2,5,5-trimethyl-2-propylhexan-1-amine

N-(2-methoxyethyl)-2,5,5-trimethyl-2-propylhexan-1-amine (PubChem CID 55196240) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2,5,5-trimethyl-2-propylhexan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2,5,5-trimethyl-2-propylhexan-1-amine
PubChem CID55196240
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC NameN-(2-methoxyethyl)-2,5,5-trimethyl-2-propylhexan-1-amine
SMILESCCCC(C)(CCC(C)(C)C)CNCCOC
InChIInChI=1S/C15H33NO/c1-7-8-15(5,10-9-14(2,3)4)13-16-11-12-17-6/h16H,7-13H2,1-6H3
InChIKeyXKBCWAGEAMMYGE-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2,6-dimethyl-2-propylheptan-1-amine
CID 83168794
4-ethyl-N-(2-methoxyethyl)-2-methyl-2-propylhexan-1-amine
CID 82929981
6-methoxy-2-methyl-N,2-dipropylhexan-1-amine
CID 104649332
2-benzyl-N-(2-methoxyethyl)-2-methylpentan-1-amine
CID 62726236
2-(cyclopropylmethoxymethyl)-N-(2-methoxyethyl)-2-methylpentan-1-amine
CID 106930750
2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine
CID 62724025
N-(2-methoxyethyl)-2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine
CID 114531438
N-(2-methoxyethyl)-2,2-dimethylhexan-1-amine
CID 62726160
4-methoxy-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62724351
2-[(3,4-difluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine
CID 82929889
N-(2-methoxyethyl)-2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine
CID 63020328
2-[(4-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine
CID 62725425

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2,5,5-trimethyl-2-propylhexan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2,5,5-trimethyl-2-propylhexan-1-amine (CID 55196240) is N-(2-methoxyethyl)-2,5,5-trimethyl-2-propylhexan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2,5,5-trimethyl-2-propylhexan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2,5,5-trimethyl-2-propylhexan-1-amine is CCCC(C)(CCC(C)(C)C)CNCCOC.
What is the InChIKey of N-(2-methoxyethyl)-2,5,5-trimethyl-2-propylhexan-1-amine?
The InChIKey is XKBCWAGEAMMYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-7-8-15(5,10-9-14(2,3)4)13-16-11-12-17-6/h16H,7-13H2,1-6H3.
What are the key properties of N-(2-methoxyethyl)-2,5,5-trimethyl-2-propylhexan-1-amine?
N-(2-methoxyethyl)-2,5,5-trimethyl-2-propylhexan-1-amine has a molecular weight of 243.43 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2,5,5-trimethyl-2-propylhexan-1-amine is sourced from PubChem (CID 55196240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).