1-(3,3-dimethylbut-1-en-2-yl)azetidine

C9H17N — CID 130368980

IUPAC1-(3,3-dimethylbut-1-en-2-yl)azetidine
SMILESC=C(N1CCC1)C(C)(C)C
InChIInChI=1S/C9H17N/c1-8(9(2,3)4)10-6-5-7-10/h1,5-7H2,2-4H3
InChIKeyTZMSJWTVQJAWRJ-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.25
Rot. Bonds1

About 1-(3,3-dimethylbut-1-en-2-yl)azetidine

1-(3,3-dimethylbut-1-en-2-yl)azetidine (PubChem CID 130368980) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1-(3,3-dimethylbut-1-en-2-yl)azetidine.

Molecular Properties

Compound Name1-(3,3-dimethylbut-1-en-2-yl)azetidine
PubChem CID130368980
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1-(3,3-dimethylbut-1-en-2-yl)azetidine
SMILESC=C(N1CCC1)C(C)(C)C
InChIInChI=1S/C9H17N/c1-8(9(2,3)4)10-6-5-7-10/h1,5-7H2,2-4H3
InChIKeyTZMSJWTVQJAWRJ-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

N,N,3,3-Tetramethylbut-1-en-2-amine
CID 15619042
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
3,3-Dimethyl-1-(3-methylbut-1-en-2-yl)azetidine
CID 57798018
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,3,3-trimethyl-N-propylcyclopropen-1-amine
CID 123370629
3,3-dimethyl-N,N-dipropylbut-1-en-2-amine
CID 124191574
N,3,3-trimethyl-N-prop-1-en-2-ylbut-1-en-2-amine
CID 126494573
N-ethyl-N,3,3-trimethylbut-1-en-2-amine
CID 126510312

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbut-1-en-2-yl)azetidine?
The IUPAC name of 1-(3,3-dimethylbut-1-en-2-yl)azetidine (CID 130368980) is 1-(3,3-dimethylbut-1-en-2-yl)azetidine.
What is the SMILES notation for 1-(3,3-dimethylbut-1-en-2-yl)azetidine?
The canonical SMILES for 1-(3,3-dimethylbut-1-en-2-yl)azetidine is C=C(N1CCC1)C(C)(C)C.
What is the InChIKey of 1-(3,3-dimethylbut-1-en-2-yl)azetidine?
The InChIKey is TZMSJWTVQJAWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-8(9(2,3)4)10-6-5-7-10/h1,5-7H2,2-4H3.
What are the key properties of 1-(3,3-dimethylbut-1-en-2-yl)azetidine?
1-(3,3-dimethylbut-1-en-2-yl)azetidine 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 1-(3,3-dimethylbut-1-en-2-yl)azetidine is sourced from PubChem (CID 130368980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).