N-(2-methoxyethyl)-2,2,4-trimethylhexan-1-amine

C12H27NO — CID 62725752

IUPACN-(2-methoxyethyl)-2,2,4-trimethylhexan-1-amine
SMILESCCC(C)CC(C)(C)CNCCOC
InChIInChI=1S/C12H27NO/c1-6-11(2)9-12(3,4)10-13-7-8-14-5/h11,13H,6-10H2,1-5H3
InChIKeySLRYRUCRUBJLKS-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.68
Rot. Bonds8

About N-(2-methoxyethyl)-2,2,4-trimethylhexan-1-amine

N-(2-methoxyethyl)-2,2,4-trimethylhexan-1-amine (PubChem CID 62725752) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2,2,4-trimethylhexan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2,2,4-trimethylhexan-1-amine
PubChem CID62725752
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC NameN-(2-methoxyethyl)-2,2,4-trimethylhexan-1-amine
SMILESCCC(C)CC(C)(C)CNCCOC
InChIInChI=1S/C12H27NO/c1-6-11(2)9-12(3,4)10-13-7-8-14-5/h11,13H,6-10H2,1-5H3
InChIKeySLRYRUCRUBJLKS-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.68
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

2,2,4-trimethyl-N-propylhexan-1-amine
CID 62724538
4-methoxy-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62724351
2-ethyl-N-(2-methoxyethyl)-2,4-dimethylpentan-1-amine
CID 62720062
3-(2-methoxyethylamino)-2,2-dimethylpropan-1-ol
CID 81413606
N-(2-methoxyethyl)-2,2-dimethylhexan-1-amine
CID 62726160
4-ethylsulfonyl-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62726162
4-ethoxy-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62725159
N-(2-methoxyethyl)-2,4-dimethyl-2-propan-2-ylpentan-1-amine
CID 83151451
1-methoxy-3,5-dimethylheptan-3-ol
CID 65146816
N-(2-methoxyethyl)-2,4,6-trimethyl-2-propan-2-ylheptan-1-amine
CID 114201279
4-ethyl-N-(2-methoxyethyl)-2-methyl-2-propylhexan-1-amine
CID 82929981
N-(2-methoxyethyl)-2-methyl-2-propan-2-yldecan-1-amine
CID 83150997

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2,2,4-trimethylhexan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2,2,4-trimethylhexan-1-amine (CID 62725752) is N-(2-methoxyethyl)-2,2,4-trimethylhexan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2,2,4-trimethylhexan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2,2,4-trimethylhexan-1-amine is CCC(C)CC(C)(C)CNCCOC.
What is the InChIKey of N-(2-methoxyethyl)-2,2,4-trimethylhexan-1-amine?
The InChIKey is SLRYRUCRUBJLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-6-11(2)9-12(3,4)10-13-7-8-14-5/h11,13H,6-10H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-2,2,4-trimethylhexan-1-amine?
N-(2-methoxyethyl)-2,2,4-trimethylhexan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2,2,4-trimethylhexan-1-amine is sourced from PubChem (CID 62725752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).