3-methoxy-3-methyl-N-pentylbutan-1-amine

C11H25NO — CID 103033063

IUPAC3-methoxy-3-methyl-N-pentylbutan-1-amine
SMILESCCCCCNCCC(C)(C)OC
InChIInChI=1S/C11H25NO/c1-5-6-7-9-12-10-8-11(2,3)13-4/h12H,5-10H2,1-4H3
InChIKeyVJSCHCVSHBGFCZ-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.58
Rot. Bonds8

About 3-methoxy-3-methyl-N-pentylbutan-1-amine

3-methoxy-3-methyl-N-pentylbutan-1-amine (PubChem CID 103033063) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-pentylbutan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-pentylbutan-1-amine
PubChem CID103033063
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name3-methoxy-3-methyl-N-pentylbutan-1-amine
SMILESCCCCCNCCC(C)(C)OC
InChIInChI=1S/C11H25NO/c1-5-6-7-9-12-10-8-11(2,3)13-4/h12H,5-10H2,1-4H3
InChIKeyVJSCHCVSHBGFCZ-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.58
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

4-Methoxy-4-methylpiperidine hydrochloride
CID 20373709
N-(3-Methoxypropyl)pentan-1-amine
CID 14806244
4-Methoxy-4-methylpiperidine
CID 20373710
N'-ethyl-N'-(3-methoxy-3-methylbutyl)propane-1,3-diamine
CID 103032967
N'-(3-methoxy-3-methylbutyl)-N'-propylpropane-1,3-diamine
CID 103032968
N'-(3-methoxy-3-methylbutyl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 103033073
3-methoxy-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 103033087
3-methoxy-3-methyl-N-(3-methylbutan-2-yl)butan-1-amine
CID 103033128
3-methoxy-N-(3-methoxypropyl)-3-methylbutan-1-amine
CID 103033130
N-(cyclobutylmethyl)-3-methoxy-3-methylbutan-1-amine
CID 103033132
N-(cyclopentylmethyl)-3-methoxy-3-methylbutan-1-amine
CID 103033136
N-(3-methoxy-3-methylbutyl)-4-methylpentan-2-amine
CID 103033138

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-N-pentylbutan-1-amine?
The IUPAC name of 3-methoxy-3-methyl-N-pentylbutan-1-amine (CID 103033063) is 3-methoxy-3-methyl-N-pentylbutan-1-amine.
What is the SMILES notation for 3-methoxy-3-methyl-N-pentylbutan-1-amine?
The canonical SMILES for 3-methoxy-3-methyl-N-pentylbutan-1-amine is CCCCCNCCC(C)(C)OC.
What is the InChIKey of 3-methoxy-3-methyl-N-pentylbutan-1-amine?
The InChIKey is VJSCHCVSHBGFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-5-6-7-9-12-10-8-11(2,3)13-4/h12H,5-10H2,1-4H3.
What are the key properties of 3-methoxy-3-methyl-N-pentylbutan-1-amine?
3-methoxy-3-methyl-N-pentylbutan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-N-pentylbutan-1-amine is sourced from PubChem (CID 103033063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).