3,3-dimethyl-2-(2-methylazetidin-1-yl)butan-1-amine

C10H22N2 — CID 130483921

IUPAC3,3-dimethyl-2-(2-methylazetidin-1-yl)butan-1-amine
SMILESCC1CCN1C(CN)C(C)(C)C
InChIInChI=1S/C10H22N2/c1-8-5-6-12(8)9(7-11)10(2,3)4/h8-9H,5-7,11H2,1-4H3
InChIKeySPXJQHYPURGRLP-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.45
Rot. Bonds2

About 3,3-dimethyl-2-(2-methylazetidin-1-yl)butan-1-amine

3,3-dimethyl-2-(2-methylazetidin-1-yl)butan-1-amine (PubChem CID 130483921) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 3,3-dimethyl-2-(2-methylazetidin-1-yl)butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-2-(2-methylazetidin-1-yl)butan-1-amine
PubChem CID130483921
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name3,3-dimethyl-2-(2-methylazetidin-1-yl)butan-1-amine
SMILESCC1CCN1C(CN)C(C)(C)C
InChIInChI=1S/C10H22N2/c1-8-5-6-12(8)9(7-11)10(2,3)4/h8-9H,5-7,11H2,1-4H3
InChIKeySPXJQHYPURGRLP-UHFFFAOYSA-N
XLogP1.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylpiperidin-1-yl)-3,3,3-trifluoropropan-1-amine
CID 62332099
1-(1-amino-3,3-dimethylbutan-2-yl)-3-methylpiperidin-4-ol
CID 114677908
2-(azetidin-1-yl)-3,3-dimethylbutan-1-amine
CID 105430583
1-(2-methylazetidin-1-yl)ethanamine
CID 67641354
(2S)-2-methyl-1-propan-2-ylazetidine
CID 118390770
4-(1-amino-3,3-dimethylbutan-2-yl)-3-methylpiperazine-2,6-dione
CID 66062279
2-methyl-3-(2-methylpyrrolidin-1-yl)butan-1-amine
CID 79415139
3-methyl-2-(2-methylazetidin-1-yl)butan-1-ol
CID 104550509
(2R)-2-[(2R)-2-methylpiperidin-1-yl]propan-1-amine
CID 124709842
(2R)-2-(2-methylazetidin-1-yl)propan-1-ol
CID 104550441
2-(2-methylpyrrolidin-1-yl)butan-1-amine
CID 60973442
2-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3-dimethylbutan-1-amine
CID 61324957

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(2-methylazetidin-1-yl)butan-1-amine?
The IUPAC name of 3,3-dimethyl-2-(2-methylazetidin-1-yl)butan-1-amine (CID 130483921) is 3,3-dimethyl-2-(2-methylazetidin-1-yl)butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-2-(2-methylazetidin-1-yl)butan-1-amine?
The canonical SMILES for 3,3-dimethyl-2-(2-methylazetidin-1-yl)butan-1-amine is CC1CCN1C(CN)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-2-(2-methylazetidin-1-yl)butan-1-amine?
The InChIKey is SPXJQHYPURGRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-8-5-6-12(8)9(7-11)10(2,3)4/h8-9H,5-7,11H2,1-4H3.
What are the key properties of 3,3-dimethyl-2-(2-methylazetidin-1-yl)butan-1-amine?
3,3-dimethyl-2-(2-methylazetidin-1-yl)butan-1-amine has a molecular weight of 170.30 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(2-methylazetidin-1-yl)butan-1-amine is sourced from PubChem (CID 130483921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).