3-(azetidin-1-yl)-N-ethyl-N-methylpropan-1-amine

C9H20N2 — CID 139401057

IUPAC3-(azetidin-1-yl)-N-ethyl-N-methylpropan-1-amine
SMILESCCN(C)CCCN1CCC1
InChIInChI=1S/C9H20N2/c1-3-10(2)6-4-7-11-8-5-9-11/h3-9H2,1-2H3
InChIKeyWCTRTDFFRLSZQK-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.03
Rot. Bonds5

About 3-(azetidin-1-yl)-N-ethyl-N-methylpropan-1-amine

3-(azetidin-1-yl)-N-ethyl-N-methylpropan-1-amine (PubChem CID 139401057) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 3-(azetidin-1-yl)-N-ethyl-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(azetidin-1-yl)-N-ethyl-N-methylpropan-1-amine
PubChem CID139401057
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name3-(azetidin-1-yl)-N-ethyl-N-methylpropan-1-amine
SMILESCCN(C)CCCN1CCC1
InChIInChI=1S/C9H20N2/c1-3-10(2)6-4-7-11-8-5-9-11/h3-9H2,1-2H3
InChIKeyWCTRTDFFRLSZQK-UHFFFAOYSA-N
XLogP1.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-methyl-2-piperidin-1-ylethanamine
CID 18427099
N'-ethyl-N'-methyl-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
CID 62636776
N-ethyl-N-methyl-3-(1-methyl-1,9-diaza-5-azoniaspiro[4.5]decan-9-yl)propan-1-amine
CID 21340437
N'-methyl-N'-(3-piperidin-1-ylpropyl)propane-1,3-diamine
CID 155107025
N'-[2-[3-(azetidin-1-yl)propyl-methylamino]ethyl]ethane-1,2-diamine
CID 143661106
N-(3-methoxypropyl)-N-methyl-3-piperidin-1-ylpropan-1-amine
CID 135181988
ethyl 3-[methyl(3-pyrrolidin-1-ylpropyl)amino]propanoate
CID 62011437
N,N'-dimethyl-N'-(3-piperidin-1-ylpropyl)butane-1,4-diamine
CID 164861314
N-ethyl-N,N'-dimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
CID 145302362
1-butylazetidine;ethane
CID 143628082
3-(aziridin-1-yl)-N,N-dimethylpropan-1-amine
CID 154296752
2-[2-[ethyl(methyl)amino]ethyl-methylamino]-N-(6-pyrrolidin-1-ylhexyl)acetamide
CID 167457610

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-yl)-N-ethyl-N-methylpropan-1-amine?
The IUPAC name of 3-(azetidin-1-yl)-N-ethyl-N-methylpropan-1-amine (CID 139401057) is 3-(azetidin-1-yl)-N-ethyl-N-methylpropan-1-amine.
What is the SMILES notation for 3-(azetidin-1-yl)-N-ethyl-N-methylpropan-1-amine?
The canonical SMILES for 3-(azetidin-1-yl)-N-ethyl-N-methylpropan-1-amine is CCN(C)CCCN1CCC1.
What is the InChIKey of 3-(azetidin-1-yl)-N-ethyl-N-methylpropan-1-amine?
The InChIKey is WCTRTDFFRLSZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-3-10(2)6-4-7-11-8-5-9-11/h3-9H2,1-2H3.
What are the key properties of 3-(azetidin-1-yl)-N-ethyl-N-methylpropan-1-amine?
3-(azetidin-1-yl)-N-ethyl-N-methylpropan-1-amine has a molecular weight of 156.27 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-yl)-N-ethyl-N-methylpropan-1-amine is sourced from PubChem (CID 139401057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).