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

C9H17N — CID 160521470

IUPAC3,3-dimethyl-2-methylidene-1-propan-2-ylazetidine
SMILESC=C1N(C(C)C)CC1(C)C
InChIInChI=1S/C9H17N/c1-7(2)10-6-9(4,5)8(10)3/h7H,3,6H2,1-2,4-5H3
InChIKeyWNDCPIBXFDYJMZ-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.25
Rot. Bonds1

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

3,3-dimethyl-2-methylidene-1-propan-2-ylazetidine (PubChem CID 160521470) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 3,3-dimethyl-2-methylidene-1-propan-2-ylazetidine.

Molecular Properties

Compound Name3,3-dimethyl-2-methylidene-1-propan-2-ylazetidine
PubChem CID160521470
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name3,3-dimethyl-2-methylidene-1-propan-2-ylazetidine
SMILESC=C1N(C(C)C)CC1(C)C
InChIInChI=1S/C9H17N/c1-7(2)10-6-9(4,5)8(10)3/h7H,3,6H2,1-2,4-5H3
InChIKeyWNDCPIBXFDYJMZ-UHFFFAOYSA-N
XLogP2.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,3-Dimethylbut-1-en-2-yl)-3,3-difluoroazetidine
CID 154973616
1,2,3,3-Tetramethyl-4-methylideneazetidine
CID 54175713
N,N-diethyl-3,3-dimethylbut-1-en-2-amine
CID 57588920
N,N-dimethyl-1-(3-methylbut-1-en-2-yl)azetidin-3-amine
CID 57797941
3,3-Dimethyl-1-(3-methylbut-1-en-2-yl)azetidine
CID 57798018
2-Methylidene-1-propan-2-ylazetidine
CID 58417774
N-butyl-N,3,3-trimethylbut-1-en-2-amine
CID 88928195
1-Tert-butyl-2-methylideneazetidine
CID 89403443
3,3-Dimethyl-1-prop-1-en-2-ylazetidine
CID 89687867
N-butan-2-yl-N,3,3-trimethylcyclopropen-1-amine
CID 123940114
3,3-dimethyl-N,N-dipropylbut-1-en-2-amine
CID 124191574
N-ethyl-N,3,3-trimethylbut-1-en-2-amine
CID 126510312

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-methylidene-1-propan-2-ylazetidine?
The IUPAC name of 3,3-dimethyl-2-methylidene-1-propan-2-ylazetidine (CID 160521470) is 3,3-dimethyl-2-methylidene-1-propan-2-ylazetidine.
What is the SMILES notation for 3,3-dimethyl-2-methylidene-1-propan-2-ylazetidine?
The canonical SMILES for 3,3-dimethyl-2-methylidene-1-propan-2-ylazetidine is C=C1N(C(C)C)CC1(C)C.
What is the InChIKey of 3,3-dimethyl-2-methylidene-1-propan-2-ylazetidine?
The InChIKey is WNDCPIBXFDYJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-7(2)10-6-9(4,5)8(10)3/h7H,3,6H2,1-2,4-5H3.
What are the key properties of 3,3-dimethyl-2-methylidene-1-propan-2-ylazetidine?
3,3-dimethyl-2-methylidene-1-propan-2-ylazetidine has a molecular weight of 139.24 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-methylidene-1-propan-2-ylazetidine is sourced from PubChem (CID 160521470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).