1-(2,2-dimethylpropyl)-3-propan-2-ylazetidine

C11H23N — CID 130253781

IUPAC1-(2,2-dimethylpropyl)-3-propan-2-ylazetidine
SMILESCC(C)C1CN(CC(C)(C)C)C1
InChIInChI=1S/C11H23N/c1-9(2)10-6-12(7-10)8-11(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyMPVCMSUCTNJFIM-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.62
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-3-propan-2-ylazetidine

1-(2,2-dimethylpropyl)-3-propan-2-ylazetidine (PubChem CID 130253781) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-propan-2-ylazetidine.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-propan-2-ylazetidine
PubChem CID130253781
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name1-(2,2-dimethylpropyl)-3-propan-2-ylazetidine
SMILESCC(C)C1CN(CC(C)(C)C)C1
InChIInChI=1S/C11H23N/c1-9(2)10-6-12(7-10)8-11(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyMPVCMSUCTNJFIM-UHFFFAOYSA-N
XLogP2.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,6S)-4-(2,2-dimethylpropyl)-2,6-dimethylmorpholine
CID 148863425
1-(2,2-dimethylpropyl)-3-propan-2-ylpiperazine
CID 64925311
1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-4-propan-2-ylpiperazine
CID 146180125
5-(2,2-dimethylpropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 58474347
1,3-bis(2,2-dimethylpropyl)-1,3-diazetidine
CID 135167675
2-hydroxy-2-methyl-1-(3-propan-2-ylazetidin-1-yl)propan-1-one
CID 58054350
1-(2,2-dimethylpropyl)-3-fluoroazetidine;1-(2,2-dimethylpropyl)-3-fluoropyrrolidine
CID 158121674
4-(3-propan-2-ylazetidin-1-yl)butan-1-ol
CID 106844128
1-(3,3-dimethylbutyl)-4-propan-2-ylpiperidine
CID 135173969
3-(2,2-dimethylpropyl)-3,9-diazabicyclo[3.3.1]nonane
CID 131136747
3-tert-butyl-1-[[1-(2,2-dimethylpropyl)azetidin-3-yl]methyl]azetidine
CID 169016284
2-[1-(2,2-dimethylpropyl)azetidin-3-yl]acetic acid
CID 65069491

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-propan-2-ylazetidine?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-propan-2-ylazetidine (CID 130253781) is 1-(2,2-dimethylpropyl)-3-propan-2-ylazetidine.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-propan-2-ylazetidine?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-propan-2-ylazetidine is CC(C)C1CN(CC(C)(C)C)C1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-propan-2-ylazetidine?
The InChIKey is MPVCMSUCTNJFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-9(2)10-6-12(7-10)8-11(3,4)5/h9-10H,6-8H2,1-5H3.
What are the key properties of 1-(2,2-dimethylpropyl)-3-propan-2-ylazetidine?
1-(2,2-dimethylpropyl)-3-propan-2-ylazetidine has a molecular weight of 169.31 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-propan-2-ylazetidine is sourced from PubChem (CID 130253781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).