3-[N-cyclobutyl-2-[(propan-2-ylamino)methyl]anilino]propan-1-ol

C17H28N2O — CID 102864690

IUPAC3-[N-cyclobutyl-2-[(propan-2-ylamino)methyl]anilino]propan-1-ol
SMILESCC(C)NCc1ccccc1N(CCCO)C1CCC1
InChIInChI=1S/C17H28N2O/c1-14(2)18-13-15-7-3-4-10-17(15)19(11-6-12-20)16-8-5-9-16/h3-4,7,10,14,16,18,20H,5-6,8-9,11-13H2,1-2H3
InChIKeyJUGLOHGNYLZEBN-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.93
Rot. Bonds8

About 3-[N-cyclobutyl-2-[(propan-2-ylamino)methyl]anilino]propan-1-ol

3-[N-cyclobutyl-2-[(propan-2-ylamino)methyl]anilino]propan-1-ol (PubChem CID 102864690) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-[N-cyclobutyl-2-[(propan-2-ylamino)methyl]anilino]propan-1-ol.

Molecular Properties

Compound Name3-[N-cyclobutyl-2-[(propan-2-ylamino)methyl]anilino]propan-1-ol
PubChem CID102864690
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-[N-cyclobutyl-2-[(propan-2-ylamino)methyl]anilino]propan-1-ol
SMILESCC(C)NCc1ccccc1N(CCCO)C1CCC1
InChIInChI=1S/C17H28N2O/c1-14(2)18-13-15-7-3-4-10-17(15)19(11-6-12-20)16-8-5-9-16/h3-4,7,10,14,16,18,20H,5-6,8-9,11-13H2,1-2H3
InChIKeyJUGLOHGNYLZEBN-UHFFFAOYSA-N
XLogP2.93
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[cyclobutyl(3-hydroxypropyl)amino]phenyl]propan-1-ol
CID 102864135
2-[N-cyclohexyl-2-(hydroxymethyl)anilino]ethanol
CID 54994680
2-[2-[(1R)-1-aminoethyl]-N-cyclobutylanilino]ethanol
CID 102863448
3-(N-cyclobutyl-2-nitroanilino)propan-1-ol
CID 102846754
N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 43281572
3-(2-amino-N-cyclobutyl-3-fluoroanilino)propan-1-ol
CID 102859346
3-[5-bromo-N-cyclobutyl-2-[1-(ethylamino)ethyl]anilino]propan-1-ol
CID 102863395
3-[5-bromo-N-cyclobutyl-2-(propylaminomethyl)anilino]propan-1-ol
CID 102864710
3-(5-amino-N-cyclobutyl-2-methylanilino)propan-1-ol
CID 102859372
N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]thiolan-3-amine
CID 43296917
3-[2-bromo-N-cyclobutyl-4-[(1S)-1-hydroxyethyl]anilino]propan-1-ol
CID 102864100
3-[2-bromo-N-cyclobutyl-4-[1-(methylamino)ethyl]anilino]propan-1-ol
CID 102863360

Frequently Asked Questions

What is the IUPAC name of 3-[N-cyclobutyl-2-[(propan-2-ylamino)methyl]anilino]propan-1-ol?
The IUPAC name of 3-[N-cyclobutyl-2-[(propan-2-ylamino)methyl]anilino]propan-1-ol (CID 102864690) is 3-[N-cyclobutyl-2-[(propan-2-ylamino)methyl]anilino]propan-1-ol.
What is the SMILES notation for 3-[N-cyclobutyl-2-[(propan-2-ylamino)methyl]anilino]propan-1-ol?
The canonical SMILES for 3-[N-cyclobutyl-2-[(propan-2-ylamino)methyl]anilino]propan-1-ol is CC(C)NCc1ccccc1N(CCCO)C1CCC1.
What is the InChIKey of 3-[N-cyclobutyl-2-[(propan-2-ylamino)methyl]anilino]propan-1-ol?
The InChIKey is JUGLOHGNYLZEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(2)18-13-15-7-3-4-10-17(15)19(11-6-12-20)16-8-5-9-16/h3-4,7,10,14,16,18,20H,5-6,8-9,11-13H2,1-2H3.
What are the key properties of 3-[N-cyclobutyl-2-[(propan-2-ylamino)methyl]anilino]propan-1-ol?
3-[N-cyclobutyl-2-[(propan-2-ylamino)methyl]anilino]propan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-cyclobutyl-2-[(propan-2-ylamino)methyl]anilino]propan-1-ol is sourced from PubChem (CID 102864690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).