3-isocyano-1-(2-methylpropyl)azetidine

C8H14N2 — CID 158704531

IUPAC3-isocyano-1-(2-methylpropyl)azetidine
SMILES[C-]#[N+]C1CN(CC(C)C)C1
InChIInChI=1S/C8H14N2/c1-7(2)4-10-5-8(6-10)9-3/h7-8H,4-6H2,1-2H3
InChIKeyCTCYXFDSKGRFOX-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.25
Rot. Bonds2

About 3-isocyano-1-(2-methylpropyl)azetidine

3-isocyano-1-(2-methylpropyl)azetidine (PubChem CID 158704531) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-isocyano-1-(2-methylpropyl)azetidine.

Molecular Properties

Compound Name3-isocyano-1-(2-methylpropyl)azetidine
PubChem CID158704531
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name3-isocyano-1-(2-methylpropyl)azetidine
SMILES[C-]#[N+]C1CN(CC(C)C)C1
InChIInChI=1S/C8H14N2/c1-7(2)4-10-5-8(6-10)9-3/h7-8H,4-6H2,1-2H3
InChIKeyCTCYXFDSKGRFOX-UHFFFAOYSA-N
XLogP1.25
TPSA7.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropyl-1-(2-methylpropyl)azetidine
CID 126994705
3,5-dimethyl-1-(2-methylpropyl)piperidine
CID 20562086
(2S,6S)-1,2,6-trimethyl-4-(2-methylpropyl)piperazine
CID 171515774
2,6-dimethyl-4-(2-methylpropyl)-1,4-thiazinane 1-oxide
CID 130621097
N-ethyl-N-methyl-1-(2-methylpropyl)azetidin-3-amine
CID 148768564
3-(cyclopropylmethoxy)-1-(2-methylpropyl)azetidine
CID 174892843
5-methyl-1-(2-methylpropyl)piperidin-3-ol
CID 128552520
N-methyl-1-(2-methylpropyl)azetidine-3-carboxamide
CID 126996805
9-methyl-3-(2-methylpropyl)-3,9-diazabicyclo[3.3.1]nonan-7-one
CID 54349876
2-methyl-1-[2-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one
CID 58912894
3-chloro-1-(2-methylpropyl)pyrrolidine
CID 19819767
methane;1-(2-methylpropyl)piperazine
CID 167537973

Frequently Asked Questions

What is the IUPAC name of 3-isocyano-1-(2-methylpropyl)azetidine?
The IUPAC name of 3-isocyano-1-(2-methylpropyl)azetidine (CID 158704531) is 3-isocyano-1-(2-methylpropyl)azetidine.
What is the SMILES notation for 3-isocyano-1-(2-methylpropyl)azetidine?
The canonical SMILES for 3-isocyano-1-(2-methylpropyl)azetidine is [C-]#[N+]C1CN(CC(C)C)C1.
What is the InChIKey of 3-isocyano-1-(2-methylpropyl)azetidine?
The InChIKey is CTCYXFDSKGRFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-7(2)4-10-5-8(6-10)9-3/h7-8H,4-6H2,1-2H3.
What are the key properties of 3-isocyano-1-(2-methylpropyl)azetidine?
3-isocyano-1-(2-methylpropyl)azetidine has a molecular weight of 138.21 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isocyano-1-(2-methylpropyl)azetidine is sourced from PubChem (CID 158704531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).