1-butylazetidine;ethane

C9H21N — CID 143628082

IUPAC1-butylazetidine;ethane
SMILESCC.CCCCN1CCC1
InChIInChI=1S/C7H15N.C2H6/c1-2-3-5-8-6-4-7-8;1-2/h2-7H2,1H3;1-2H3
InChIKeyCIEHOAHNDROOIZ-UHFFFAOYSA-N
MW143.27 g/mol
LogP2.52
Rot. Bonds3

About 1-butylazetidine;ethane

1-butylazetidine;ethane (PubChem CID 143628082) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is 1-butylazetidine;ethane.

Molecular Properties

Compound Name1-butylazetidine;ethane
PubChem CID143628082
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC Name1-butylazetidine;ethane
SMILESCC.CCCCN1CCC1
InChIInChI=1S/C7H15N.C2H6/c1-2-3-5-8-6-4-7-8;1-2/h2-7H2,1H3;1-2H3
InChIKeyCIEHOAHNDROOIZ-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-heptylazetidine
CID 134402356
1,4,7,10-tetraheptyl-1,4,7,10-tetrazacyclotridecane
CID 24824731
1-butyl-4-(2-chloroethyl)-1,4-diazepane
CID 63387859
1-butylpiperidine;hexane;1-hexylpiperidine
CID 156727490
ethane;1-nonylpiperidine
CID 177011009
1-(2-bromoethyl)-4-pentyl-1,4-diazepane
CID 80668234
1-butylpyrrolidine;1,4-dioxane
CID 159502773
1-butyl-1,4-diazepane;ethane
CID 168976024
1-butylazetidine;triethoxysilane
CID 173012120
1-octylazonane
CID 20533821
1-dodecylazepane
CID 3366129
1-decylpiperidine
CID 4649960

Frequently Asked Questions

What is the IUPAC name of 1-butylazetidine;ethane?
The IUPAC name of 1-butylazetidine;ethane (CID 143628082) is 1-butylazetidine;ethane.
What is the SMILES notation for 1-butylazetidine;ethane?
The canonical SMILES for 1-butylazetidine;ethane is CC.CCCCN1CCC1.
What is the InChIKey of 1-butylazetidine;ethane?
The InChIKey is CIEHOAHNDROOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C2H6/c1-2-3-5-8-6-4-7-8;1-2/h2-7H2,1H3;1-2H3.
What are the key properties of 1-butylazetidine;ethane?
1-butylazetidine;ethane has a molecular weight of 143.27 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylazetidine;ethane is sourced from PubChem (CID 143628082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).