1-methoxy-6,6-dimethylheptan-4-amine

C10H23NO — CID 115619597

IUPAC1-methoxy-6,6-dimethylheptan-4-amine
SMILESCOCCCC(N)CC(C)(C)C
InChIInChI=1S/C10H23NO/c1-10(2,3)8-9(11)6-5-7-12-4/h9H,5-8,11H2,1-4H3
InChIKeyDBETVNNSNFNIJV-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.18
Rot. Bonds5

About 1-methoxy-6,6-dimethylheptan-4-amine

1-methoxy-6,6-dimethylheptan-4-amine (PubChem CID 115619597) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 1-methoxy-6,6-dimethylheptan-4-amine.

Molecular Properties

Compound Name1-methoxy-6,6-dimethylheptan-4-amine
PubChem CID115619597
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name1-methoxy-6,6-dimethylheptan-4-amine
SMILESCOCCCC(N)CC(C)(C)C
InChIInChI=1S/C10H23NO/c1-10(2,3)8-9(11)6-5-7-12-4/h9H,5-8,11H2,1-4H3
InChIKeyDBETVNNSNFNIJV-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.18
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

1-methoxyheptan-4-amine
CID 43370439
1-methoxy-7-methyloctan-4-amine
CID 62603924
5-methoxy-1-N-methyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine
CID 81101412
5-methoxy-1-N,1-N-dimethylpentane-1,2-diamine
CID 81101856
(2S)-5-methoxypentan-2-amine
CID 93315322
1-amino-4-methoxybutan-1-ol
CID 57141832
(3R)-3-amino-5,5-dimethylhexan-1-ol
CID 58554650
1-N-methoxy-1-N,5,5-trimethylhexane-1,3-diamine
CID 114396426
7-methoxy-2,2-dimethylheptan-3-amine
CID 60926793
(5-amino-8-methoxyoctyl)boronic acid
CID 88577036
2-amino-5-methoxy-N-(2,4,4-trimethylpentan-2-yl)pentanamide
CID 81082635
3-amino-5,5-dimethylhexan-1-ol;hydrochloride
CID 55255759

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-6,6-dimethylheptan-4-amine?
The IUPAC name of 1-methoxy-6,6-dimethylheptan-4-amine (CID 115619597) is 1-methoxy-6,6-dimethylheptan-4-amine.
What is the SMILES notation for 1-methoxy-6,6-dimethylheptan-4-amine?
The canonical SMILES for 1-methoxy-6,6-dimethylheptan-4-amine is COCCCC(N)CC(C)(C)C.
What is the InChIKey of 1-methoxy-6,6-dimethylheptan-4-amine?
The InChIKey is DBETVNNSNFNIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-10(2,3)8-9(11)6-5-7-12-4/h9H,5-8,11H2,1-4H3.
What are the key properties of 1-methoxy-6,6-dimethylheptan-4-amine?
1-methoxy-6,6-dimethylheptan-4-amine has a molecular weight of 173.30 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-6,6-dimethylheptan-4-amine is sourced from PubChem (CID 115619597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).