1-methoxy-N-methyl-N-propylbutan-1-amine

C9H21NO — CID 143604026

IUPAC1-methoxy-N-methyl-N-propylbutan-1-amine
SMILESCCCC(OC)N(C)CCC
InChIInChI=1S/C9H21NO/c1-5-7-9(11-4)10(3)8-6-2/h9H,5-8H2,1-4H3
InChIKeyRWXIVKYGMLFVTA-UHFFFAOYSA-N
MW159.27 g/mol
LogP2.10
Rot. Bonds6

About 1-methoxy-N-methyl-N-propylbutan-1-amine

1-methoxy-N-methyl-N-propylbutan-1-amine (PubChem CID 143604026) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 1-methoxy-N-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-methoxy-N-methyl-N-propylbutan-1-amine
PubChem CID143604026
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name1-methoxy-N-methyl-N-propylbutan-1-amine
SMILESCCCC(OC)N(C)CCC
InChIInChI=1S/C9H21NO/c1-5-7-9(11-4)10(3)8-6-2/h9H,5-8H2,1-4H3
InChIKeyRWXIVKYGMLFVTA-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Tetrabutylammonium ethoxide
CID 14417848
N,N-Bis(ethoxymethyl)butan-1-amine
CID 12398978
N-(Butoxymethyl)-N-ethylethanamine
CID 12610255
Tetrabutylammonium butoxide
CID 20356620
1-(fluoromethoxy)-N,N-dimethylbutan-1-amine
CID 142468528
4-[Ethyl(3-methoxypropyl)amino]butyl hypofluorite
CID 156884749
N-methyl-N-propyl-4-(trifluoromethoxy)butan-1-amine
CID 172334564
N,N-dibutyl-4-methoxybutan-1-amine
CID 265279
N,N-Dimethyl-3-butoxypropylamine
CID 547393
N,N-dibutyloxolan-2-amine
CID 11194981
2-Butoxyethyl-butyl-dimethylazanium
CID 86249080
4-Diethylaminobutyloxy hydrochloride
CID 129782873

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-methoxy-N-methyl-N-propylbutan-1-amine (CID 143604026) is 1-methoxy-N-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-methoxy-N-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-methoxy-N-methyl-N-propylbutan-1-amine is CCCC(OC)N(C)CCC.
What is the InChIKey of 1-methoxy-N-methyl-N-propylbutan-1-amine?
The InChIKey is RWXIVKYGMLFVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-5-7-9(11-4)10(3)8-6-2/h9H,5-8H2,1-4H3.
What are the key properties of 1-methoxy-N-methyl-N-propylbutan-1-amine?
1-methoxy-N-methyl-N-propylbutan-1-amine has a molecular weight of 159.27 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 143604026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).