2-butyl-3,3-dimethyl-1-propan-2-ylazetidine

C12H25N — CID 10986950

IUPAC2-butyl-3,3-dimethyl-1-propan-2-ylazetidine
SMILESCCCCC1N(C(C)C)CC1(C)C
InChIInChI=1S/C12H25N/c1-6-7-8-11-12(4,5)9-13(11)10(2)3/h10-11H,6-9H2,1-5H3
InChIKeyQTWMPKDLMULKML-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.30
Rot. Bonds4

About 2-butyl-3,3-dimethyl-1-propan-2-ylazetidine

2-butyl-3,3-dimethyl-1-propan-2-ylazetidine (PubChem CID 10986950) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 2-butyl-3,3-dimethyl-1-propan-2-ylazetidine.

Molecular Properties

Compound Name2-butyl-3,3-dimethyl-1-propan-2-ylazetidine
PubChem CID10986950
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name2-butyl-3,3-dimethyl-1-propan-2-ylazetidine
SMILESCCCCC1N(C(C)C)CC1(C)C
InChIInChI=1S/C12H25N/c1-6-7-8-11-12(4,5)9-13(11)10(2)3/h10-11H,6-9H2,1-5H3
InChIKeyQTWMPKDLMULKML-UHFFFAOYSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3,3-dimethyl-1-propan-2-ylazetidine?
The IUPAC name of 2-butyl-3,3-dimethyl-1-propan-2-ylazetidine (CID 10986950) is 2-butyl-3,3-dimethyl-1-propan-2-ylazetidine.
What is the SMILES notation for 2-butyl-3,3-dimethyl-1-propan-2-ylazetidine?
The canonical SMILES for 2-butyl-3,3-dimethyl-1-propan-2-ylazetidine is CCCCC1N(C(C)C)CC1(C)C.
What is the InChIKey of 2-butyl-3,3-dimethyl-1-propan-2-ylazetidine?
The InChIKey is QTWMPKDLMULKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-6-7-8-11-12(4,5)9-13(11)10(2)3/h10-11H,6-9H2,1-5H3.
What are the key properties of 2-butyl-3,3-dimethyl-1-propan-2-ylazetidine?
2-butyl-3,3-dimethyl-1-propan-2-ylazetidine has a molecular weight of 183.34 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3,3-dimethyl-1-propan-2-ylazetidine is sourced from PubChem (CID 10986950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).