N-[2-(azetidin-3-ylidene)propyl]-2,2-dimethylbutan-1-amine

C12H24N2 — CID 103462225

IUPACN-[2-(azetidin-3-ylidene)propyl]-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)CNCC(C)=C1CNC1
InChIInChI=1S/C12H24N2/c1-5-12(3,4)9-14-6-10(2)11-7-13-8-11/h13-14H,5-9H2,1-4H3
InChIKeyRGLISSFWBHTGSS-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.93
Rot. Bonds5

About N-[2-(azetidin-3-ylidene)propyl]-2,2-dimethylbutan-1-amine

N-[2-(azetidin-3-ylidene)propyl]-2,2-dimethylbutan-1-amine (PubChem CID 103462225) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-[2-(azetidin-3-ylidene)propyl]-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(azetidin-3-ylidene)propyl]-2,2-dimethylbutan-1-amine
PubChem CID103462225
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-[2-(azetidin-3-ylidene)propyl]-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)CNCC(C)=C1CNC1
InChIInChI=1S/C12H24N2/c1-5-12(3,4)9-14-6-10(2)11-7-13-8-11/h13-14H,5-9H2,1-4H3
InChIKeyRGLISSFWBHTGSS-UHFFFAOYSA-N
XLogP1.93
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methylbut-2-ene;N-methyl-2-(3-methylazetidin-3-yl)ethanamine
CID 163266511
N'-[2-(azetidin-3-ylidene)propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102994260
N'-[2-(azetidin-3-ylidene)propyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102994429
N-[2-(azetidin-3-ylidene)propyl]-2,2,3-trimethylbutan-1-amine
CID 105699149
2-(azetidin-3-ylidene)-N-[(1-methylcyclopropyl)methyl]propan-1-amine
CID 105699393
2-(azetidin-3-ylidene)-N-[(1-ethylcyclopropyl)methyl]propan-1-amine
CID 105699638
2-(azetidin-3-ylidene)-N-[(1-methylcyclobutyl)methyl]propan-1-amine
CID 105756214
N-[2-(azetidin-3-ylidene)propyl]-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 114011168
2-(azetidin-3-ylidene)-N,N-diethylpropan-1-amine
CID 116679178
2-(azetidin-3-ylidene)-N,N-dipropylpropan-1-amine
CID 116679202
N-[2-(azetidin-3-ylidene)propyl]-N-methylbutan-1-amine
CID 116679230
N-[2-(azetidin-3-ylidene)propyl]-N-ethylbutan-1-amine
CID 116679248

Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-3-ylidene)propyl]-2,2-dimethylbutan-1-amine?
The IUPAC name of N-[2-(azetidin-3-ylidene)propyl]-2,2-dimethylbutan-1-amine (CID 103462225) is N-[2-(azetidin-3-ylidene)propyl]-2,2-dimethylbutan-1-amine.
What is the SMILES notation for N-[2-(azetidin-3-ylidene)propyl]-2,2-dimethylbutan-1-amine?
The canonical SMILES for N-[2-(azetidin-3-ylidene)propyl]-2,2-dimethylbutan-1-amine is CCC(C)(C)CNCC(C)=C1CNC1.
What is the InChIKey of N-[2-(azetidin-3-ylidene)propyl]-2,2-dimethylbutan-1-amine?
The InChIKey is RGLISSFWBHTGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-12(3,4)9-14-6-10(2)11-7-13-8-11/h13-14H,5-9H2,1-4H3.
What are the key properties of N-[2-(azetidin-3-ylidene)propyl]-2,2-dimethylbutan-1-amine?
N-[2-(azetidin-3-ylidene)propyl]-2,2-dimethylbutan-1-amine has a molecular weight of 196.34 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-3-ylidene)propyl]-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 103462225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).