(2S)-1-butyl-2-propan-2-ylaziridine

C9H19N — CID 175612438

IUPAC(2S)-1-butyl-2-propan-2-ylaziridine
SMILESCCCCN1C[C@@H]1C(C)C
InChIInChI=1S/C9H19N/c1-4-5-6-10-7-9(10)8(2)3/h8-9H,4-7H2,1-3H3/t9-,10?/m1/s1
InChIKeyWTXMQKKILHPXTG-YHMJZVADSA-N
MW141.26 g/mol
LogP2.13
Rot. Bonds4

About (2S)-1-butyl-2-propan-2-ylaziridine

(2S)-1-butyl-2-propan-2-ylaziridine (PubChem CID 175612438) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (2S)-1-butyl-2-propan-2-ylaziridine.

Molecular Properties

Compound Name(2S)-1-butyl-2-propan-2-ylaziridine
PubChem CID175612438
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(2S)-1-butyl-2-propan-2-ylaziridine
SMILESCCCCN1C[C@@H]1C(C)C
InChIInChI=1S/C9H19N/c1-4-5-6-10-7-9(10)8(2)3/h8-9H,4-7H2,1-3H3/t9-,10?/m1/s1
InChIKeyWTXMQKKILHPXTG-YHMJZVADSA-N
XLogP2.13
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926630
2-hexyl-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939805
1-octyl-2-propan-2-yl-5-propylpiperazine
CID 64840134
2-butan-2-yl-1-butyl-5-methylpiperazine
CID 64846296
(2-propan-2-ylaziridin-1-yl)methanamine
CID 163565729
CID 177405056
CID 177405056
2,5-di(propan-2-yl)-1-(3-propoxypropyl)piperazine
CID 82947777
1-(2-butoxyethyl)-5-methyl-2-propan-2-ylpiperazine
CID 64845683
1,3-dibutyl-2-chloroimidazolidine
CID 18347940
5,5-diethyl-1-octyl-2-propan-2-ylpiperazine
CID 64860045
(2R)-1-methyl-2-propan-2-ylaziridine
CID 140882357
(3S,5R)-1-butyl-5-(2-methylpropyl)pyrrolidin-3-ol
CID 124744564

Frequently Asked Questions

What is the IUPAC name of (2S)-1-butyl-2-propan-2-ylaziridine?
The IUPAC name of (2S)-1-butyl-2-propan-2-ylaziridine (CID 175612438) is (2S)-1-butyl-2-propan-2-ylaziridine.
What is the SMILES notation for (2S)-1-butyl-2-propan-2-ylaziridine?
The canonical SMILES for (2S)-1-butyl-2-propan-2-ylaziridine is CCCCN1C[C@@H]1C(C)C.
What is the InChIKey of (2S)-1-butyl-2-propan-2-ylaziridine?
The InChIKey is WTXMQKKILHPXTG-YHMJZVADSA-N. The full InChI is InChI=1S/C9H19N/c1-4-5-6-10-7-9(10)8(2)3/h8-9H,4-7H2,1-3H3/t9-,10?/m1/s1.
What are the key properties of (2S)-1-butyl-2-propan-2-ylaziridine?
(2S)-1-butyl-2-propan-2-ylaziridine has a molecular weight of 141.26 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-butyl-2-propan-2-ylaziridine is sourced from PubChem (CID 175612438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).