3-(azetidin-1-yl)-2,2-dimethylbutan-1-amine

C9H20N2 — CID 115012199

IUPAC3-(azetidin-1-yl)-2,2-dimethylbutan-1-amine
SMILESCC(N1CCC1)C(C)(C)CN
InChIInChI=1S/C9H20N2/c1-8(9(2,3)7-10)11-5-4-6-11/h8H,4-7,10H2,1-3H3
InChIKeyCGJZNCMCSXUIFM-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.07
Rot. Bonds3

About 3-(azetidin-1-yl)-2,2-dimethylbutan-1-amine

3-(azetidin-1-yl)-2,2-dimethylbutan-1-amine (PubChem CID 115012199) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 3-(azetidin-1-yl)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name3-(azetidin-1-yl)-2,2-dimethylbutan-1-amine
PubChem CID115012199
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name3-(azetidin-1-yl)-2,2-dimethylbutan-1-amine
SMILESCC(N1CCC1)C(C)(C)CN
InChIInChI=1S/C9H20N2/c1-8(9(2,3)7-10)11-5-4-6-11/h8H,4-7,10H2,1-3H3
InChIKeyCGJZNCMCSXUIFM-UHFFFAOYSA-N
XLogP1.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

1-[(2S)-3,3-dimethylbutan-2-yl]pyrrolidine
CID 129260340
2-(azetidin-1-yl)-3,3-dimethylbutan-1-amine
CID 105430583
2-(azetidin-1-yl)-2,3-dimethylbutan-1-amine
CID 84716627
2,2-dimethylbutane-1,3-diamine
CID 22255870
4-(azetidin-1-yl)-3,3-dimethylbutan-2-amine
CID 126980720
N-(1-amino-2,3-dimethylbutan-2-yl)pyrrolidine-1-sulfonamide
CID 115310584
2-methyl-2-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
CID 43585088
(2S)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 51624584
2,2,4,4-tetramethylpentane-1,3,5-triamine
CID 88802410
(2R)-2-(azetidin-1-yl)-3,3,3-trifluoropropan-1-amine
CID 86327569
1-(4,4-dimethylpentan-2-yl)azepane
CID 130352451
4,4-dimethyl-2-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine
CID 62950781

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-yl)-2,2-dimethylbutan-1-amine?
The IUPAC name of 3-(azetidin-1-yl)-2,2-dimethylbutan-1-amine (CID 115012199) is 3-(azetidin-1-yl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 3-(azetidin-1-yl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for 3-(azetidin-1-yl)-2,2-dimethylbutan-1-amine is CC(N1CCC1)C(C)(C)CN.
What is the InChIKey of 3-(azetidin-1-yl)-2,2-dimethylbutan-1-amine?
The InChIKey is CGJZNCMCSXUIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-8(9(2,3)7-10)11-5-4-6-11/h8H,4-7,10H2,1-3H3.
What are the key properties of 3-(azetidin-1-yl)-2,2-dimethylbutan-1-amine?
3-(azetidin-1-yl)-2,2-dimethylbutan-1-amine has a molecular weight of 156.27 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-yl)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 115012199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).