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

C12H25N — CID 176760635

IUPAC3-(3,3-dimethylbutyl)-1-propan-2-ylazetidine
SMILESCC(C)N1CC(CCC(C)(C)C)C1
InChIInChI=1S/C12H25N/c1-10(2)13-8-11(9-13)6-7-12(3,4)5/h10-11H,6-9H2,1-5H3
InChIKeyQERMIORWXPIAMM-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.15
Rot. Bonds3

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

3-(3,3-dimethylbutyl)-1-propan-2-ylazetidine (PubChem CID 176760635) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 3-(3,3-dimethylbutyl)-1-propan-2-ylazetidine.

Molecular Properties

Compound Name3-(3,3-dimethylbutyl)-1-propan-2-ylazetidine
PubChem CID176760635
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name3-(3,3-dimethylbutyl)-1-propan-2-ylazetidine
SMILESCC(C)N1CC(CCC(C)(C)C)C1
InChIInChI=1S/C12H25N/c1-10(2)13-8-11(9-13)6-7-12(3,4)5/h10-11H,6-9H2,1-5H3
InChIKeyQERMIORWXPIAMM-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(fluoromethyl)-1-propan-2-ylazetidine
CID 118375071
1-propan-2-ylazetidin-3-amine;hydrochloride
CID 134588428
(3S)-3-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine
CID 164786402
ethane;5-(1-propan-2-ylazetidin-3-yl)pentan-1-amine
CID 145006733
3,3-dimethyl-1-(1-propan-2-ylazetidin-3-yl)butan-1-one
CID 59216544
ethane;(1-propan-2-ylazetidin-3-yl)methanol
CID 156813140
2-methyl-1,4-di(propan-2-yl)-6-propyl-1,4-diazepane
CID 138722839
3-(2,4-dimethylpentan-2-yl)-1-propan-2-ylazetidine
CID 167001874
3-(ethoxymethyl)-1-propan-2-ylazetidine
CID 89024945
5-ethyl-1-propan-2-ylpiperidin-3-amine
CID 83989059
3-methyl-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine
CID 170373804
4-(3,3-dimethylbutyl)-1-ethylpiperidine
CID 58286807

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutyl)-1-propan-2-ylazetidine?
The IUPAC name of 3-(3,3-dimethylbutyl)-1-propan-2-ylazetidine (CID 176760635) is 3-(3,3-dimethylbutyl)-1-propan-2-ylazetidine.
What is the SMILES notation for 3-(3,3-dimethylbutyl)-1-propan-2-ylazetidine?
The canonical SMILES for 3-(3,3-dimethylbutyl)-1-propan-2-ylazetidine is CC(C)N1CC(CCC(C)(C)C)C1.
What is the InChIKey of 3-(3,3-dimethylbutyl)-1-propan-2-ylazetidine?
The InChIKey is QERMIORWXPIAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-10(2)13-8-11(9-13)6-7-12(3,4)5/h10-11H,6-9H2,1-5H3.
What are the key properties of 3-(3,3-dimethylbutyl)-1-propan-2-ylazetidine?
3-(3,3-dimethylbutyl)-1-propan-2-ylazetidine has a molecular weight of 183.34 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutyl)-1-propan-2-ylazetidine is sourced from PubChem (CID 176760635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).