2-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylazetidine;2-methyl-1-propan-2-ylaziridine

C20H43N3 — CID 159786270

IUPAC2-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylazetidine;2-methyl-1-propan-2-ylaziridine
SMILESCC(C)N1CC1C.CC(C)N1CCC1C.CC1CN(C(C)C)C1
InChIInChI=1S/2C7H15N.C6H13N/c1-6(2)8-4-7(3)5-8;1-6(2)8-5-4-7(8)3;1-5(2)7-4-6(7)3/h2*6-7H,4-5H2,1-3H3;5-6H,4H2,1-3H3
InChIKeyNHZHXMWZQYNGPM-UHFFFAOYSA-N
MW325.59 g/mol
LogP3.93
Rot. Bonds3

About 2-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylazetidine;2-methyl-1-propan-2-ylaziridine

2-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylazetidine;2-methyl-1-propan-2-ylaziridine (PubChem CID 159786270) has the molecular formula C20H43N3 and a molecular weight of 325.59 g/mol. Its IUPAC name is 2-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylazetidine;2-methyl-1-propan-2-ylaziridine.

Molecular Properties

Compound Name2-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylazetidine;2-methyl-1-propan-2-ylaziridine
PubChem CID159786270
Molecular FormulaC20H43N3
Molecular Weight325.59 g/mol
Exact Mass325.35
IUPAC Name2-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylazetidine;2-methyl-1-propan-2-ylaziridine
SMILESCC(C)N1CC1C.CC(C)N1CCC1C.CC1CN(C(C)C)C1
InChIInChI=1S/2C7H15N.C6H13N/c1-6(2)8-4-7(3)5-8;1-6(2)8-5-4-7(8)3;1-5(2)7-4-6(7)3/h2*6-7H,4-5H2,1-3H3;5-6H,4H2,1-3H3
InChIKeyNHZHXMWZQYNGPM-UHFFFAOYSA-N
XLogP3.93
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.59
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-methyl-1-propan-2-ylazetidine
CID 118390770
(5R)-5-methyl-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291275
(3R,6R)-3,6-dimethyl-1-propan-2-ylazepane
CID 174341942
(2S)-2-methyl-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291233
(2R,4R)-2,4-dimethyl-1-propan-2-ylpiperidine
CID 176766721
(2S,4R)-2,4-dimethyl-1-propan-2-ylpiperidine
CID 177325259
ethane;3-methyl-1-propan-2-ylpyrrolidine
CID 156888189
(2R,6R)-2,6-dimethyl-1-[5-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]hexan-2-yl]-4-propan-2-ylpiperazine
CID 166707730
ethane;2-methyl-1-propan-2-ylpiperidine
CID 143195459
2-methyl-1-propan-2-ylazepane
CID 66910895
2-methyl-1,4-di(propan-2-yl)-6-propyl-1,4-diazepane
CID 138722839
1-(2-methylazetidin-1-yl)ethanamine
CID 67641354

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylazetidine;2-methyl-1-propan-2-ylaziridine?
The IUPAC name of 2-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylazetidine;2-methyl-1-propan-2-ylaziridine (CID 159786270) is 2-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylazetidine;2-methyl-1-propan-2-ylaziridine.
What is the SMILES notation for 2-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylazetidine;2-methyl-1-propan-2-ylaziridine?
The canonical SMILES for 2-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylazetidine;2-methyl-1-propan-2-ylaziridine is CC(C)N1CC1C.CC(C)N1CCC1C.CC1CN(C(C)C)C1.
What is the InChIKey of 2-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylazetidine;2-methyl-1-propan-2-ylaziridine?
The InChIKey is NHZHXMWZQYNGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H15N.C6H13N/c1-6(2)8-4-7(3)5-8;1-6(2)8-5-4-7(8)3;1-5(2)7-4-6(7)3/h2*6-7H,4-5H2,1-3H3;5-6H,4H2,1-3H3.
What are the key properties of 2-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylazetidine;2-methyl-1-propan-2-ylaziridine?
2-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylazetidine;2-methyl-1-propan-2-ylaziridine has a molecular weight of 325.59 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propan-2-ylazetidine;3-methyl-1-propan-2-ylazetidine;2-methyl-1-propan-2-ylaziridine is sourced from PubChem (CID 159786270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).