3-(5-amino-N-cyclobutyl-2-methylanilino)propan-1-ol

C14H22N2O — CID 102859372

IUPAC3-(5-amino-N-cyclobutyl-2-methylanilino)propan-1-ol
SMILESCc1ccc(N)cc1N(CCCO)C1CCC1
InChIInChI=1S/C14H22N2O/c1-11-6-7-12(15)10-14(11)16(8-3-9-17)13-4-2-5-13/h6-7,10,13,17H,2-5,8-9,15H2,1H3
InChIKeyYKYHDJNXDUKJEU-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.32
Rot. Bonds5

About 3-(5-amino-N-cyclobutyl-2-methylanilino)propan-1-ol

3-(5-amino-N-cyclobutyl-2-methylanilino)propan-1-ol (PubChem CID 102859372) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(5-amino-N-cyclobutyl-2-methylanilino)propan-1-ol.

Molecular Properties

Compound Name3-(5-amino-N-cyclobutyl-2-methylanilino)propan-1-ol
PubChem CID102859372
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-(5-amino-N-cyclobutyl-2-methylanilino)propan-1-ol
SMILESCc1ccc(N)cc1N(CCCO)C1CCC1
InChIInChI=1S/C14H22N2O/c1-11-6-7-12(15)10-14(11)16(8-3-9-17)13-4-2-5-13/h6-7,10,13,17H,2-5,8-9,15H2,1H3
InChIKeyYKYHDJNXDUKJEU-UHFFFAOYSA-N
XLogP2.32
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.32
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-2-fluoroanilino)propan-1-ol
CID 102859257
3-(3-amino-N-cyclobutylanilino)propan-1-ol
CID 102859259
2-(4-amino-N-cyclopentyl-2-iodoanilino)ethanol
CID 66095606
1-N-butyl-1-N-cyclopropyl-2-methylbenzene-1,4-diamine
CID 61440854
3-(2-amino-N-cyclobutyl-3-fluoroanilino)propan-1-ol
CID 102859346
3-[N-cyclobutyl-2-methyl-4-(propylaminomethyl)anilino]propan-1-ol
CID 102864620
3-[2-[(1R)-1-aminoethyl]-N-cyclobutyl-4-fluoro-5-methylanilino]propan-1-ol
CID 102863419
2-[4-amino-N-cyclobutyl-2-(trifluoromethyl)anilino]ethanol
CID 102859641
2-[cyclobutyl(3-hydroxypropyl)amino]-4-methylbenzonitrile
CID 102862350
3-[(3-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol
CID 102859402
3-[(5-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol
CID 102859337
3-[5-bromo-N-cyclobutyl-2-(propylaminomethyl)anilino]propan-1-ol
CID 102864710

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-N-cyclobutyl-2-methylanilino)propan-1-ol?
The IUPAC name of 3-(5-amino-N-cyclobutyl-2-methylanilino)propan-1-ol (CID 102859372) is 3-(5-amino-N-cyclobutyl-2-methylanilino)propan-1-ol.
What is the SMILES notation for 3-(5-amino-N-cyclobutyl-2-methylanilino)propan-1-ol?
The canonical SMILES for 3-(5-amino-N-cyclobutyl-2-methylanilino)propan-1-ol is Cc1ccc(N)cc1N(CCCO)C1CCC1.
What is the InChIKey of 3-(5-amino-N-cyclobutyl-2-methylanilino)propan-1-ol?
The InChIKey is YKYHDJNXDUKJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-6-7-12(15)10-14(11)16(8-3-9-17)13-4-2-5-13/h6-7,10,13,17H,2-5,8-9,15H2,1H3.
What are the key properties of 3-(5-amino-N-cyclobutyl-2-methylanilino)propan-1-ol?
3-(5-amino-N-cyclobutyl-2-methylanilino)propan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-N-cyclobutyl-2-methylanilino)propan-1-ol is sourced from PubChem (CID 102859372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).