6-methoxy-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine

C13H29NO — CID 104649302

IUPAC6-methoxy-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine
SMILESCOCCCCC(C)(C)CNCC(C)C
InChIInChI=1S/C13H29NO/c1-12(2)10-14-11-13(3,4)8-6-7-9-15-5/h12,14H,6-11H2,1-5H3
InChIKeyNQWVXNJTKLOGMV-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.07
Rot. Bonds9

About 6-methoxy-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine

6-methoxy-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine (PubChem CID 104649302) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 6-methoxy-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine.

Molecular Properties

Compound Name6-methoxy-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine
PubChem CID104649302
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name6-methoxy-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine
SMILESCOCCCCC(C)(C)CNCC(C)C
InChIInChI=1S/C13H29NO/c1-12(2)10-14-11-13(3,4)8-6-7-9-15-5/h12,14H,6-11H2,1-5H3
InChIKeyNQWVXNJTKLOGMV-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.07
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

6-methoxy-3,3-dimethyl-N-(2-methylpropyl)hexan-1-amine
CID 81033785
2-(2-methoxyethyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83150406
2-cyclopropyl-4-methoxy-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 83159358
N-(2-methoxyethyl)-2,2-dimethyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 82953405
3,3-dimethyl-4-(2-methylpropylamino)butan-1-ol
CID 115876647
7-methoxy-N-(2-methylpropyl)heptan-1-amine
CID 104650031
5-(4-methoxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147134
6-methoxy-2,2-dimethylhexan-1-amine
CID 104649285
N-butan-2-yl-N-(2-methoxyethyl)-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62259831
2,2-dimethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62725155
N-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylheptan-1-amine
CID 103179208
N-(2-methoxyethyl)-2,2-dimethylhexan-1-amine
CID 62726160

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine?
The IUPAC name of 6-methoxy-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine (CID 104649302) is 6-methoxy-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine.
What is the SMILES notation for 6-methoxy-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine?
The canonical SMILES for 6-methoxy-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine is COCCCCC(C)(C)CNCC(C)C.
What is the InChIKey of 6-methoxy-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine?
The InChIKey is NQWVXNJTKLOGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-12(2)10-14-11-13(3,4)8-6-7-9-15-5/h12,14H,6-11H2,1-5H3.
What are the key properties of 6-methoxy-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine?
6-methoxy-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine is sourced from PubChem (CID 104649302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).