N-(3-butan-2-ylcyclobutyl)oxetan-3-amine;molecular hydrogen

C11H23NO — CID 164877225

IUPACN-(3-butan-2-ylcyclobutyl)oxetan-3-amine;molecular hydrogen
SMILESCCC(C)C1CC(NC2COC2)C1.[H][H]
InChIInChI=1S/C11H21NO.H2/c1-3-8(2)9-4-10(5-9)12-11-6-13-7-11;/h8-12H,3-7H2,1-2H3;1H
InChIKeyQLXNLBXPRUKIJP-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.05
Rot. Bonds4

About N-(3-butan-2-ylcyclobutyl)oxetan-3-amine;molecular hydrogen

N-(3-butan-2-ylcyclobutyl)oxetan-3-amine;molecular hydrogen (PubChem CID 164877225) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-(3-butan-2-ylcyclobutyl)oxetan-3-amine;molecular hydrogen.

Molecular Properties

Compound NameN-(3-butan-2-ylcyclobutyl)oxetan-3-amine;molecular hydrogen
PubChem CID164877225
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-(3-butan-2-ylcyclobutyl)oxetan-3-amine;molecular hydrogen
SMILESCCC(C)C1CC(NC2COC2)C1.[H][H]
InChIInChI=1S/C11H21NO.H2/c1-3-8(2)9-4-10(5-9)12-11-6-13-7-11;/h8-12H,3-7H2,1-2H3;1H
InChIKeyQLXNLBXPRUKIJP-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4S)-4-fluoro-3-propan-2-ylhexyl]oxetan-3-amine
CID 137537142
1-cyclobutyl-N-[2-(2,2-difluoroethoxy)ethyl]propan-2-amine
CID 103082660
3-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
CID 103561942
N-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103578519
1-cyclobutyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
CID 115713528
N-(2-methoxyethyl)-4-methylcyclohexan-1-amine
CID 2849478
N-[(2R)-1-methoxypropan-2-yl]-4-methylcyclohexan-1-amine
CID 28441727
N-[(2S)-1-methoxypropan-2-yl]-4-methylcyclohexan-1-amine
CID 28441729
N-(2-methoxyethyl)-2-methylcyclohexan-1-amine
CID 43177248
N-(2-methoxyethyl)-3-methylcyclohexan-1-amine
CID 43177250
N-(1-methoxypropan-2-yl)-4-methylcyclohexan-1-amine
CID 43177877
N-[(1R,3R)-3-methylcyclopentyl]oxetan-3-amine
CID 58394578

Frequently Asked Questions

What is the IUPAC name of N-(3-butan-2-ylcyclobutyl)oxetan-3-amine;molecular hydrogen?
The IUPAC name of N-(3-butan-2-ylcyclobutyl)oxetan-3-amine;molecular hydrogen (CID 164877225) is N-(3-butan-2-ylcyclobutyl)oxetan-3-amine;molecular hydrogen.
What is the SMILES notation for N-(3-butan-2-ylcyclobutyl)oxetan-3-amine;molecular hydrogen?
The canonical SMILES for N-(3-butan-2-ylcyclobutyl)oxetan-3-amine;molecular hydrogen is CCC(C)C1CC(NC2COC2)C1.[H][H].
What is the InChIKey of N-(3-butan-2-ylcyclobutyl)oxetan-3-amine;molecular hydrogen?
The InChIKey is QLXNLBXPRUKIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.H2/c1-3-8(2)9-4-10(5-9)12-11-6-13-7-11;/h8-12H,3-7H2,1-2H3;1H.
What are the key properties of N-(3-butan-2-ylcyclobutyl)oxetan-3-amine;molecular hydrogen?
N-(3-butan-2-ylcyclobutyl)oxetan-3-amine;molecular hydrogen has a molecular weight of 185.31 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butan-2-ylcyclobutyl)oxetan-3-amine;molecular hydrogen is sourced from PubChem (CID 164877225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).