ethane;N-methyl-N-propylazetidin-3-amine

C9H22N2 — CID 144899605

IUPACethane;N-methyl-N-propylazetidin-3-amine
SMILESCC.CCCN(C)C1CNC1
InChIInChI=1S/C7H16N2.C2H6/c1-3-4-9(2)7-5-8-6-7;1-2/h7-8H,3-6H2,1-2H3;1-2H3
InChIKeyBDDCWKULAIAFDG-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.33
Rot. Bonds3

About ethane;N-methyl-N-propylazetidin-3-amine

ethane;N-methyl-N-propylazetidin-3-amine (PubChem CID 144899605) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is ethane;N-methyl-N-propylazetidin-3-amine.

Molecular Properties

Compound Nameethane;N-methyl-N-propylazetidin-3-amine
PubChem CID144899605
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Nameethane;N-methyl-N-propylazetidin-3-amine
SMILESCC.CCCN(C)C1CNC1
InChIInChI=1S/C7H16N2.C2H6/c1-3-4-9(2)7-5-8-6-7;1-2/h7-8H,3-6H2,1-2H3;1-2H3
InChIKeyBDDCWKULAIAFDG-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-Ethanediamine, N1,N1-bis(1-methylethyl)-
CID 8459
N,N'-Diisopropylethylenediamine
CID 77628
1,7-DI-(Sec.-butyl)-diethylenetriamine
CID 292506
(1-Tert-butylazetidin-2-yl)methanamine
CID 282395
N-(2-aminopropyl)propane-1,2-diamine
CID 96199
Diethylenetriamine, 1,7-bis(2'-propyl)-
CID 23423558
N,N,N'-Triisopropylethylenediamine
CID 66797
N1,N1-Diethyl-N2-propyl-1,2-ethanediamine
CID 295969
1,2-Ethanediamine, N,N'-bis(1-methylpropyl)-
CID 469901
N,N'-Bis(3-pentyl)-ethylenediamine
CID 469903
N~1~-(Butan-2-yl)-N~2~-(propan-2-yl)ethane-1,2-diamine
CID 469912
N-Propyl-N'-isopropylethylenediamine
CID 469913

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-propylazetidin-3-amine?
The IUPAC name of ethane;N-methyl-N-propylazetidin-3-amine (CID 144899605) is ethane;N-methyl-N-propylazetidin-3-amine.
What is the SMILES notation for ethane;N-methyl-N-propylazetidin-3-amine?
The canonical SMILES for ethane;N-methyl-N-propylazetidin-3-amine is CC.CCCN(C)C1CNC1.
What is the InChIKey of ethane;N-methyl-N-propylazetidin-3-amine?
The InChIKey is BDDCWKULAIAFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.C2H6/c1-3-4-9(2)7-5-8-6-7;1-2/h7-8H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;N-methyl-N-propylazetidin-3-amine?
ethane;N-methyl-N-propylazetidin-3-amine has a molecular weight of 158.29 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-propylazetidin-3-amine is sourced from PubChem (CID 144899605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).