2-methyl-3-(4-methylheptyl)azetidine

C12H25N — CID 166869132

IUPAC2-methyl-3-(4-methylheptyl)azetidine
SMILESCCCC(C)CCCC1CNC1C
InChIInChI=1S/C12H25N/c1-4-6-10(2)7-5-8-12-9-13-11(12)3/h10-13H,4-9H2,1-3H3
InChIKeyRNRXXQXWPNZIEP-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.20
Rot. Bonds6

About 2-methyl-3-(4-methylheptyl)azetidine

2-methyl-3-(4-methylheptyl)azetidine (PubChem CID 166869132) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 2-methyl-3-(4-methylheptyl)azetidine.

Molecular Properties

Compound Name2-methyl-3-(4-methylheptyl)azetidine
PubChem CID166869132
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name2-methyl-3-(4-methylheptyl)azetidine
SMILESCCCC(C)CCCC1CNC1C
InChIInChI=1S/C12H25N/c1-4-6-10(2)7-5-8-12-9-13-11(12)3/h10-13H,4-9H2,1-3H3
InChIKeyRNRXXQXWPNZIEP-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-butyl-2-(9-methyldodecyl)cyclopropane
CID 123448389
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
5-methyl-2-(2-methylpentyl)piperidine
CID 106778659
4-methylheptane;pentane
CID 142501546
4-methylheptane;propane
CID 142171269
4-methyltritriacontane
CID 71346224
4,13-dimethylheptadecane
CID 6430494
(4S)-4-methyltridecane
CID 24884428
4,9-dimethylpentadecane
CID 123851930
4-methyloctadecane
CID 517866
(4R)-4-methylpentadecane
CID 98062361

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methylheptyl)azetidine?
The IUPAC name of 2-methyl-3-(4-methylheptyl)azetidine (CID 166869132) is 2-methyl-3-(4-methylheptyl)azetidine.
What is the SMILES notation for 2-methyl-3-(4-methylheptyl)azetidine?
The canonical SMILES for 2-methyl-3-(4-methylheptyl)azetidine is CCCC(C)CCCC1CNC1C.
What is the InChIKey of 2-methyl-3-(4-methylheptyl)azetidine?
The InChIKey is RNRXXQXWPNZIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-4-6-10(2)7-5-8-12-9-13-11(12)3/h10-13H,4-9H2,1-3H3.
What are the key properties of 2-methyl-3-(4-methylheptyl)azetidine?
2-methyl-3-(4-methylheptyl)azetidine has a molecular weight of 183.34 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methylheptyl)azetidine is sourced from PubChem (CID 166869132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).