3-(3-amino-5-methylanilino)cyclobutan-1-ol

C11H16N2O — CID 112647990

IUPAC3-(3-amino-5-methylanilino)cyclobutan-1-ol
SMILESCc1cc(N)cc(NC2CC(O)C2)c1
InChIInChI=1S/C11H16N2O/c1-7-2-8(12)4-9(3-7)13-10-5-11(14)6-10/h2-4,10-11,13-14H,5-6,12H2,1H3
InChIKeyNRKWHRFAKQWKGT-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.51
Rot. Bonds2

About 3-(3-amino-5-methylanilino)cyclobutan-1-ol

3-(3-amino-5-methylanilino)cyclobutan-1-ol (PubChem CID 112647990) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-(3-amino-5-methylanilino)cyclobutan-1-ol.

Molecular Properties

Compound Name3-(3-amino-5-methylanilino)cyclobutan-1-ol
PubChem CID112647990
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-(3-amino-5-methylanilino)cyclobutan-1-ol
SMILESCc1cc(N)cc(NC2CC(O)C2)c1
InChIInChI=1S/C11H16N2O/c1-7-2-8(12)4-9(3-7)13-10-5-11(14)6-10/h2-4,10-11,13-14H,5-6,12H2,1H3
InChIKeyNRKWHRFAKQWKGT-UHFFFAOYSA-N
XLogP1.51
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N-cyclopropyl-5-methylbenzene-1,3-diamine
CID 112646925
3-N-cyclooctyl-5-methylbenzene-1,3-diamine
CID 112646949
5-methyl-3-N-(3-methylcyclohexyl)benzene-1,3-diamine
CID 112647121
3-N-(1,1-dioxothian-4-yl)-5-methylbenzene-1,3-diamine
CID 112647228
3-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzene-1,3-diamine
CID 114008155
2-(3,5-dimethylanilino)cyclobutan-1-ol
CID 126856717
5-methyl-3-N-(2-propan-2-ylcyclohexyl)benzene-1,3-diamine
CID 112648163
5-methyl-3-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,3-diamine
CID 112647668
N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline
CID 64731599
3-N-(1,3-dimethylpiperidin-4-yl)-5-methylbenzene-1,3-diamine
CID 114502993
1-N-(3-fluoro-5-methylphenyl)cyclobutane-1,3-diamine
CID 80562430
3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447823

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-5-methylanilino)cyclobutan-1-ol?
The IUPAC name of 3-(3-amino-5-methylanilino)cyclobutan-1-ol (CID 112647990) is 3-(3-amino-5-methylanilino)cyclobutan-1-ol.
What is the SMILES notation for 3-(3-amino-5-methylanilino)cyclobutan-1-ol?
The canonical SMILES for 3-(3-amino-5-methylanilino)cyclobutan-1-ol is Cc1cc(N)cc(NC2CC(O)C2)c1.
What is the InChIKey of 3-(3-amino-5-methylanilino)cyclobutan-1-ol?
The InChIKey is NRKWHRFAKQWKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-7-2-8(12)4-9(3-7)13-10-5-11(14)6-10/h2-4,10-11,13-14H,5-6,12H2,1H3.
What are the key properties of 3-(3-amino-5-methylanilino)cyclobutan-1-ol?
3-(3-amino-5-methylanilino)cyclobutan-1-ol has a molecular weight of 192.26 g/mol, XLogP of 1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-5-methylanilino)cyclobutan-1-ol is sourced from PubChem (CID 112647990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).