6-methoxy-2,2-dimethylhexan-1-amine

C9H21NO — CID 104649285

IUPAC6-methoxy-2,2-dimethylhexan-1-amine
SMILESCOCCCCC(C)(C)CN
InChIInChI=1S/C9H21NO/c1-9(2,8-10)6-4-5-7-11-3/h4-8,10H2,1-3H3
InChIKeyLKRDIDKGBAIANW-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.79
Rot. Bonds6

About 6-methoxy-2,2-dimethylhexan-1-amine

6-methoxy-2,2-dimethylhexan-1-amine (PubChem CID 104649285) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 6-methoxy-2,2-dimethylhexan-1-amine.

Molecular Properties

Compound Name6-methoxy-2,2-dimethylhexan-1-amine
PubChem CID104649285
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name6-methoxy-2,2-dimethylhexan-1-amine
SMILESCOCCCCC(C)(C)CN
InChIInChI=1S/C9H21NO/c1-9(2,8-10)6-4-5-7-11-3/h4-8,10H2,1-3H3
InChIKeyLKRDIDKGBAIANW-UHFFFAOYSA-N
XLogP1.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.79
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',N'-bis(2-methoxyethyl)-2,2-dimethylhexane-1,6-diamine
CID 106707937
5-(3-methoxypropylsulfinyl)-2,2-dimethylpentan-1-amine
CID 81333066
6-ethoxy-2,2-dimethylhexan-1-amine
CID 106708552
4-(3-methoxypropylsulfanyl)-2,2-dimethylbutan-1-amine
CID 65249124
N'-(2-methoxyethyl)-N',2,2-trimethylpentane-1,5-diamine
CID 65254418
6-methoxy-2-methylhexan-2-amine
CID 94975413
5-(2-methoxyethylsulfinyl)-2,2-dimethylpentan-1-amine
CID 81328261
6-methoxy-2-methyl-2-propylhexan-1-amine
CID 104649289
6-methoxy-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine
CID 104649302
2,2-dimethyloctan-1-amine
CID 62739423
8-methoxy-4,4-dimethyloctan-2-one
CID 21344820
7-methoxy-3,3-dimethylheptanoic acid
CID 104650863

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,2-dimethylhexan-1-amine?
The IUPAC name of 6-methoxy-2,2-dimethylhexan-1-amine (CID 104649285) is 6-methoxy-2,2-dimethylhexan-1-amine.
What is the SMILES notation for 6-methoxy-2,2-dimethylhexan-1-amine?
The canonical SMILES for 6-methoxy-2,2-dimethylhexan-1-amine is COCCCCC(C)(C)CN.
What is the InChIKey of 6-methoxy-2,2-dimethylhexan-1-amine?
The InChIKey is LKRDIDKGBAIANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-9(2,8-10)6-4-5-7-11-3/h4-8,10H2,1-3H3.
What are the key properties of 6-methoxy-2,2-dimethylhexan-1-amine?
6-methoxy-2,2-dimethylhexan-1-amine has a molecular weight of 159.27 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,2-dimethylhexan-1-amine is sourced from PubChem (CID 104649285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).