4-(3-ethylazetidin-1-yl)butan-2-amine

C9H20N2 — CID 79677546

IUPAC4-(3-ethylazetidin-1-yl)butan-2-amine
SMILESCCC1CN(CCC(C)N)C1
InChIInChI=1S/C9H20N2/c1-3-9-6-11(7-9)5-4-8(2)10/h8-9H,3-7,10H2,1-2H3
InChIKeyKFMZPHSNKVAUSR-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.07
Rot. Bonds4

About 4-(3-ethylazetidin-1-yl)butan-2-amine

4-(3-ethylazetidin-1-yl)butan-2-amine (PubChem CID 79677546) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 4-(3-ethylazetidin-1-yl)butan-2-amine.

Molecular Properties

Compound Name4-(3-ethylazetidin-1-yl)butan-2-amine
PubChem CID79677546
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name4-(3-ethylazetidin-1-yl)butan-2-amine
SMILESCCC1CN(CCC(C)N)C1
InChIInChI=1S/C9H20N2/c1-3-9-6-11(7-9)5-4-8(2)10/h8-9H,3-7,10H2,1-2H3
InChIKeyKFMZPHSNKVAUSR-UHFFFAOYSA-N
XLogP1.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-ethylpiperidin-1-yl)butan-2-amine
CID 43584476
4-(1-propylpyrrolidin-3-yl)butan-2-amine
CID 83981036
4-(2,5-dihydropyrrol-1-yl)butan-2-amine
CID 65417497
4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
CID 63009941
(2S)-1-(3-ethylpiperidin-1-yl)propan-2-amine
CID 103934495
1-cyclopropyl-2-(3-ethylazetidin-1-yl)ethanamine
CID 115301558
4-(4,4-diethylpiperidin-1-yl)butan-2-amine
CID 63160822
3-ethyl-1-[(4-ethylcyclohexyl)methyl]azetidine
CID 130320709
(2R)-4-cyclopropylbutan-2-amine
CID 95367313
5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine
CID 114537725
1,3-diethylazetidine;1,2-dimethylaziridine
CID 161379483
4-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)butan-2-amine
CID 57373865

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylazetidin-1-yl)butan-2-amine?
The IUPAC name of 4-(3-ethylazetidin-1-yl)butan-2-amine (CID 79677546) is 4-(3-ethylazetidin-1-yl)butan-2-amine.
What is the SMILES notation for 4-(3-ethylazetidin-1-yl)butan-2-amine?
The canonical SMILES for 4-(3-ethylazetidin-1-yl)butan-2-amine is CCC1CN(CCC(C)N)C1.
What is the InChIKey of 4-(3-ethylazetidin-1-yl)butan-2-amine?
The InChIKey is KFMZPHSNKVAUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-3-9-6-11(7-9)5-4-8(2)10/h8-9H,3-7,10H2,1-2H3.
What are the key properties of 4-(3-ethylazetidin-1-yl)butan-2-amine?
4-(3-ethylazetidin-1-yl)butan-2-amine has a molecular weight of 156.27 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylazetidin-1-yl)butan-2-amine is sourced from PubChem (CID 79677546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).