4-(azetidin-1-yl)-2-methylbutan-1-amine

C8H18N2 — CID 130547472

IUPAC4-(azetidin-1-yl)-2-methylbutan-1-amine
SMILESCC(CN)CCN1CCC1
InChIInChI=1S/C8H18N2/c1-8(7-9)3-6-10-4-2-5-10/h8H,2-7,9H2,1H3
InChIKeyYNSFUGFMORQREM-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.68
Rot. Bonds4

About 4-(azetidin-1-yl)-2-methylbutan-1-amine

4-(azetidin-1-yl)-2-methylbutan-1-amine (PubChem CID 130547472) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name4-(azetidin-1-yl)-2-methylbutan-1-amine
PubChem CID130547472
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name4-(azetidin-1-yl)-2-methylbutan-1-amine
SMILESCC(CN)CCN1CCC1
InChIInChI=1S/C8H18N2/c1-8(7-9)3-6-10-4-2-5-10/h8H,2-7,9H2,1H3
InChIKeyYNSFUGFMORQREM-UHFFFAOYSA-N
XLogP0.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine
CID 81080728
2-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine
CID 81080501
4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbutan-1-amine
CID 81080497
2-methyl-5-thiomorpholin-4-ylpentan-1-amine
CID 82017096
2-methyl-5-(4-methylpiperidin-1-yl)pentan-1-amine
CID 82010619
methane;1-(3-methylbutyl)pyrrolidine
CID 143832561
1-(3-methylsulfanylbutyl)pyrrolidine
CID 67812295
4-piperidin-1-ylbutane-1,2-diamine
CID 68919851
3-[4-(2-ethoxyethyl)-1,4-diazepan-1-yl]-2-methylpropan-1-amine
CID 43457112
5-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]pentan-1-ol
CID 62227492
2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-amine
CID 81079462
4-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
CID 81079308

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-2-methylbutan-1-amine?
The IUPAC name of 4-(azetidin-1-yl)-2-methylbutan-1-amine (CID 130547472) is 4-(azetidin-1-yl)-2-methylbutan-1-amine.
What is the SMILES notation for 4-(azetidin-1-yl)-2-methylbutan-1-amine?
The canonical SMILES for 4-(azetidin-1-yl)-2-methylbutan-1-amine is CC(CN)CCN1CCC1.
What is the InChIKey of 4-(azetidin-1-yl)-2-methylbutan-1-amine?
The InChIKey is YNSFUGFMORQREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-8(7-9)3-6-10-4-2-5-10/h8H,2-7,9H2,1H3.
What are the key properties of 4-(azetidin-1-yl)-2-methylbutan-1-amine?
4-(azetidin-1-yl)-2-methylbutan-1-amine has a molecular weight of 142.25 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-2-methylbutan-1-amine is sourced from PubChem (CID 130547472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).