3-(3-amino-N-cyclobutylanilino)propan-1-ol

C13H20N2O — CID 102859259

IUPAC3-(3-amino-N-cyclobutylanilino)propan-1-ol
SMILESNc1cccc(N(CCCO)C2CCC2)c1
InChIInChI=1S/C13H20N2O/c14-11-4-1-7-13(10-11)15(8-3-9-16)12-5-2-6-12/h1,4,7,10,12,16H,2-3,5-6,8-9,14H2
InChIKeyNSQQGFBCGUFMIV-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.01
Rot. Bonds5

About 3-(3-amino-N-cyclobutylanilino)propan-1-ol

3-(3-amino-N-cyclobutylanilino)propan-1-ol (PubChem CID 102859259) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-(3-amino-N-cyclobutylanilino)propan-1-ol.

Molecular Properties

Compound Name3-(3-amino-N-cyclobutylanilino)propan-1-ol
PubChem CID102859259
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-(3-amino-N-cyclobutylanilino)propan-1-ol
SMILESNc1cccc(N(CCCO)C2CCC2)c1
InChIInChI=1S/C13H20N2O/c14-11-4-1-7-13(10-11)15(8-3-9-16)12-5-2-6-12/h1,4,7,10,12,16H,2-3,5-6,8-9,14H2
InChIKeyNSQQGFBCGUFMIV-UHFFFAOYSA-N
XLogP2.01
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-amino-N-cyclobutyl-3-(trifluoromethyl)anilino]propan-1-ol
CID 102859413
3-(4-amino-N-cyclobutyl-2-fluoroanilino)propan-1-ol
CID 102859257
3-(5-amino-N-cyclobutyl-2-methylanilino)propan-1-ol
CID 102859372
3-N-(4-ethylcyclohexyl)-3-N-propylbenzene-1,3-diamine
CID 64748721
3-(2-amino-N-cyclobutyl-3-fluoroanilino)propan-1-ol
CID 102859346
3-[3-(aminomethyl)-5-bromo-N-cyclobutylanilino]propan-1-ol
CID 102859668
2-(4-amino-N-cyclobutylanilino)ethanol
CID 102859463
3-(3-amino-N-ethylanilino)propan-1-ol
CID 63229758
1-N,3-N-dibutyl-1-N,3-N-dicyclohexylbenzene-1,3-diamine
CID 69065368
4-[cyclobutyl(3-hydroxypropyl)amino]benzenecarbothioamide
CID 102862592
5-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxypyridine-2-carboximidamide
CID 136865121
5-[cyclobutyl(3-hydroxypropyl)amino]-2-(1-hydroxyethyl)phenol
CID 102864148

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-N-cyclobutylanilino)propan-1-ol?
The IUPAC name of 3-(3-amino-N-cyclobutylanilino)propan-1-ol (CID 102859259) is 3-(3-amino-N-cyclobutylanilino)propan-1-ol.
What is the SMILES notation for 3-(3-amino-N-cyclobutylanilino)propan-1-ol?
The canonical SMILES for 3-(3-amino-N-cyclobutylanilino)propan-1-ol is Nc1cccc(N(CCCO)C2CCC2)c1.
What is the InChIKey of 3-(3-amino-N-cyclobutylanilino)propan-1-ol?
The InChIKey is NSQQGFBCGUFMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c14-11-4-1-7-13(10-11)15(8-3-9-16)12-5-2-6-12/h1,4,7,10,12,16H,2-3,5-6,8-9,14H2.
What are the key properties of 3-(3-amino-N-cyclobutylanilino)propan-1-ol?
3-(3-amino-N-cyclobutylanilino)propan-1-ol has a molecular weight of 220.32 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-N-cyclobutylanilino)propan-1-ol is sourced from PubChem (CID 102859259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).