1-(azetidin-3-yl)-3-methylbutan-1-amine

C8H18N2 — CID 116935262

IUPAC1-(azetidin-3-yl)-3-methylbutan-1-amine
SMILESCC(C)CC(N)C1CNC1
InChIInChI=1S/C8H18N2/c1-6(2)3-8(9)7-4-10-5-7/h6-8,10H,3-5,9H2,1-2H3
InChIKeyFSNZRBWZRPVRRM-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.58
Rot. Bonds3

About 1-(azetidin-3-yl)-3-methylbutan-1-amine

1-(azetidin-3-yl)-3-methylbutan-1-amine (PubChem CID 116935262) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-3-methylbutan-1-amine
PubChem CID116935262
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1-(azetidin-3-yl)-3-methylbutan-1-amine
SMILESCC(C)CC(N)C1CNC1
InChIInChI=1S/C8H18N2/c1-6(2)3-8(9)7-4-10-5-7/h6-8,10H,3-5,9H2,1-2H3
InChIKeyFSNZRBWZRPVRRM-UHFFFAOYSA-N
XLogP0.58
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-pyrrolidin-3-ylbutan-1-amine
CID 82416019
3-methyl-1-piperidin-3-ylbutan-1-amine
CID 82412260
(1S)-1-(azetidin-3-yl)ethanamine
CID 96955547
3-methyl-1-(oxan-4-yl)butan-1-amine
CID 63935057
4-(1-amino-3-methylbutyl)-N-methylcyclohexan-1-amine
CID 116937215
(3R)-3-amino-3-(azetidin-3-yl)propan-1-ol
CID 97168753
3-methyl-1-(thiolan-3-yl)butan-1-amine
CID 105083374
3-(1-bromoethyl)azetidine
CID 167740275
3-methyl-1-(oxan-3-yl)butan-1-amine
CID 65331695
1-(azetidin-3-yl)ethanamine;propan-2-yloxysilane
CID 173050421
3-methyl-1-pyrrolidin-3-ylbutan-1-ol
CID 78158472
1-cyclopropyl-4-methylpentan-2-amine
CID 62753020

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-3-methylbutan-1-amine?
The IUPAC name of 1-(azetidin-3-yl)-3-methylbutan-1-amine (CID 116935262) is 1-(azetidin-3-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 1-(azetidin-3-yl)-3-methylbutan-1-amine?
The canonical SMILES for 1-(azetidin-3-yl)-3-methylbutan-1-amine is CC(C)CC(N)C1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-3-methylbutan-1-amine?
The InChIKey is FSNZRBWZRPVRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-6(2)3-8(9)7-4-10-5-7/h6-8,10H,3-5,9H2,1-2H3.
What are the key properties of 1-(azetidin-3-yl)-3-methylbutan-1-amine?
1-(azetidin-3-yl)-3-methylbutan-1-amine has a molecular weight of 142.25 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 116935262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).