3-(methoxymethyl)-N,N-dimethylpentan-1-amine

C9H21NO — CID 20714783

IUPAC3-(methoxymethyl)-N,N-dimethylpentan-1-amine
SMILESCCC(CCN(C)C)COC
InChIInChI=1S/C9H21NO/c1-5-9(8-11-4)6-7-10(2)3/h9H,5-8H2,1-4H3
InChIKeyAQKKHBVOIUNRGJ-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.61
Rot. Bonds6

About 3-(methoxymethyl)-N,N-dimethylpentan-1-amine

3-(methoxymethyl)-N,N-dimethylpentan-1-amine (PubChem CID 20714783) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 3-(methoxymethyl)-N,N-dimethylpentan-1-amine.

Molecular Properties

Compound Name3-(methoxymethyl)-N,N-dimethylpentan-1-amine
PubChem CID20714783
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name3-(methoxymethyl)-N,N-dimethylpentan-1-amine
SMILESCCC(CCN(C)C)COC
InChIInChI=1S/C9H21NO/c1-5-9(8-11-4)6-7-10(2)3/h9H,5-8H2,1-4H3
InChIKeyAQKKHBVOIUNRGJ-UHFFFAOYSA-N
XLogP1.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Dimethyl-(tetrahydro-pyran-4-ylmethyl)-amine
CID 58118759
4-(Dimethylamino)-2-ethylbutan-1-ol
CID 117866045
1-(2-Fluoro-2-methylpropyl)-4-(methoxymethyl)piperidine
CID 126749522
3-fluoro-3-(methoxymethyl)-N,N-dimethylpentan-1-amine
CID 143182328
4-(4-Methylpiperidin-1-yl)butyl hypofluorite
CID 174317127
3-ethyl-5-methoxy-N,N-dimethylpentan-1-amine
CID 20714780
3-ethyl-5-methoxy-N,N-dipropylpentan-1-amine
CID 20714781
(3-Ethyl-5-methoxypentyl)-trimethylazanium
CID 20714784
3-(Methoxymethyl)pentyl-trimethylazanium
CID 20714785
(3-Ethyl-5-methoxypentyl)-methyl-dipropylazanium
CID 20714787
3-(Methoxymethyl)pentyl-methyl-dipropylazanium
CID 20714788
N,N-diethyl-3-(methoxymethyl)pentan-1-amine
CID 20714790

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N,N-dimethylpentan-1-amine?
The IUPAC name of 3-(methoxymethyl)-N,N-dimethylpentan-1-amine (CID 20714783) is 3-(methoxymethyl)-N,N-dimethylpentan-1-amine.
What is the SMILES notation for 3-(methoxymethyl)-N,N-dimethylpentan-1-amine?
The canonical SMILES for 3-(methoxymethyl)-N,N-dimethylpentan-1-amine is CCC(CCN(C)C)COC.
What is the InChIKey of 3-(methoxymethyl)-N,N-dimethylpentan-1-amine?
The InChIKey is AQKKHBVOIUNRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-5-9(8-11-4)6-7-10(2)3/h9H,5-8H2,1-4H3.
What are the key properties of 3-(methoxymethyl)-N,N-dimethylpentan-1-amine?
3-(methoxymethyl)-N,N-dimethylpentan-1-amine has a molecular weight of 159.27 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N,N-dimethylpentan-1-amine is sourced from PubChem (CID 20714783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).