7-methoxy-N-(2-methylpropyl)heptan-1-amine

C12H27NO — CID 104650031

IUPAC7-methoxy-N-(2-methylpropyl)heptan-1-amine
SMILESCOCCCCCCCNCC(C)C
InChIInChI=1S/C12H27NO/c1-12(2)11-13-9-7-5-4-6-8-10-14-3/h12-13H,4-11H2,1-3H3
InChIKeyXLDKWOQHGBKKMC-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.83
Rot. Bonds10

About 7-methoxy-N-(2-methylpropyl)heptan-1-amine

7-methoxy-N-(2-methylpropyl)heptan-1-amine (PubChem CID 104650031) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 7-methoxy-N-(2-methylpropyl)heptan-1-amine.

Molecular Properties

Compound Name7-methoxy-N-(2-methylpropyl)heptan-1-amine
PubChem CID104650031
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name7-methoxy-N-(2-methylpropyl)heptan-1-amine
SMILESCOCCCCCCCNCC(C)C
InChIInChI=1S/C12H27NO/c1-12(2)11-13-9-7-5-4-6-8-10-14-3/h12-13H,4-11H2,1-3H3
InChIKeyXLDKWOQHGBKKMC-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.83
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-[2-(3-methoxypropoxy)ethoxy]-N-(2-methylpropyl)hexan-1-amine
CID 103181280
4-(2-methoxyethoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456720
N-(2-methoxyethyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62570429
N-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-2-methylpropan-1-amine
CID 104560835
N',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)butane-1,4-diamine
CID 55072636
N-(5-methoxypentyl)-2-methylpentan-1-amine
CID 103920788
3-(4-methoxybutylamino)-2-methylpropan-1-ol
CID 104647456
4-hexoxy-N-(2-methylpropyl)butan-1-amine
CID 62455139
4-ethoxy-N-(2-methylpropyl)butan-1-amine
CID 60957098
4-(4-methylpentoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456980
ethane;N-ethylformamide;N-(3-methoxypropyl)-2-methylpropan-1-amine
CID 163400199
6-methoxy-3,3-dimethyl-N-(2-methylpropyl)hexan-1-amine
CID 81033785

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(2-methylpropyl)heptan-1-amine?
The IUPAC name of 7-methoxy-N-(2-methylpropyl)heptan-1-amine (CID 104650031) is 7-methoxy-N-(2-methylpropyl)heptan-1-amine.
What is the SMILES notation for 7-methoxy-N-(2-methylpropyl)heptan-1-amine?
The canonical SMILES for 7-methoxy-N-(2-methylpropyl)heptan-1-amine is COCCCCCCCNCC(C)C.
What is the InChIKey of 7-methoxy-N-(2-methylpropyl)heptan-1-amine?
The InChIKey is XLDKWOQHGBKKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-12(2)11-13-9-7-5-4-6-8-10-14-3/h12-13H,4-11H2,1-3H3.
What are the key properties of 7-methoxy-N-(2-methylpropyl)heptan-1-amine?
7-methoxy-N-(2-methylpropyl)heptan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.83, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(2-methylpropyl)heptan-1-amine is sourced from PubChem (CID 104650031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).