(4S)-1,2,2-trimethyl-4-propan-2-ylazetidine

C9H19N — CID 178105344

IUPAC(4S)-1,2,2-trimethyl-4-propan-2-ylazetidine
SMILESCC(C)[C@@H]1CC(C)(C)N1C
InChIInChI=1S/C9H19N/c1-7(2)8-6-9(3,4)10(8)5/h7-8H,6H2,1-5H3/t8-/m0/s1
InChIKeyCSYRHVVFQYUWQC-QMMMGPOBSA-N
MW141.26 g/mol
LogP2.13
Rot. Bonds1

About (4S)-1,2,2-trimethyl-4-propan-2-ylazetidine

(4S)-1,2,2-trimethyl-4-propan-2-ylazetidine (PubChem CID 178105344) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (4S)-1,2,2-trimethyl-4-propan-2-ylazetidine.

Molecular Properties

Compound Name(4S)-1,2,2-trimethyl-4-propan-2-ylazetidine
PubChem CID178105344
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(4S)-1,2,2-trimethyl-4-propan-2-ylazetidine
SMILESCC(C)[C@@H]1CC(C)(C)N1C
InChIInChI=1S/C9H19N/c1-7(2)8-6-9(3,4)10(8)5/h7-8H,6H2,1-5H3/t8-/m0/s1
InChIKeyCSYRHVVFQYUWQC-QMMMGPOBSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,2-trimethyl-4-propan-2-ylazetidine
CID 178105935
4-O-(1-hydroxy-2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) 1-O-(1,2,2-trimethyl-6-propan-2-ylpiperidin-4-yl) cyclohexane-1,4-dicarboxylate
CID 121248216
2,2,6,6-tetramethyl-1,4-di(propan-2-yl)piperidine
CID 58730801
(2R)-1-methyl-2-propan-2-ylaziridine
CID 140882357
ethane;1,4,4-trimethyl-2-propan-2-ylpiperidine
CID 170772142
(2S)-1,5,5-trimethyl-2-propan-2-ylpiperazine
CID 94982663
2,3,3,5-tetramethyl-1-propan-2-yl-4,5,5a,6,7,8,9,9a-octahydro-1H-benzo[c]azepine
CID 170272824
1-methyl-2-propan-2-ylazetidine
CID 23588958
(3S)-2-methyl-3-propan-2-yl-2-azaspiro[4.5]decane
CID 164942004
3-methyl-1,4-di(propan-2-yl)imidazolidin-2-one
CID 116983109
methane;1,2,2,6,6-pentamethyl-4-propan-2-ylpiperidine;2,2,6,6-tetramethyl-4-propan-2-ylpiperidine
CID 157477069
5-methyl-6-propan-2-yl-5-azaspiro[2.5]octane
CID 149057571

Frequently Asked Questions

What is the IUPAC name of (4S)-1,2,2-trimethyl-4-propan-2-ylazetidine?
The IUPAC name of (4S)-1,2,2-trimethyl-4-propan-2-ylazetidine (CID 178105344) is (4S)-1,2,2-trimethyl-4-propan-2-ylazetidine.
What is the SMILES notation for (4S)-1,2,2-trimethyl-4-propan-2-ylazetidine?
The canonical SMILES for (4S)-1,2,2-trimethyl-4-propan-2-ylazetidine is CC(C)[C@@H]1CC(C)(C)N1C.
What is the InChIKey of (4S)-1,2,2-trimethyl-4-propan-2-ylazetidine?
The InChIKey is CSYRHVVFQYUWQC-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19N/c1-7(2)8-6-9(3,4)10(8)5/h7-8H,6H2,1-5H3/t8-/m0/s1.
What are the key properties of (4S)-1,2,2-trimethyl-4-propan-2-ylazetidine?
(4S)-1,2,2-trimethyl-4-propan-2-ylazetidine has a molecular weight of 141.26 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1,2,2-trimethyl-4-propan-2-ylazetidine is sourced from PubChem (CID 178105344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).