(2R)-1-[(3-butoxy-2,2-dimethylcyclobutyl)amino]propan-2-ol

C13H27NO2 — CID 103922183

IUPAC(2R)-1-[(3-butoxy-2,2-dimethylcyclobutyl)amino]propan-2-ol
SMILESCCCCOC1CC(NC[C@@H](C)O)C1(C)C
InChIInChI=1S/C13H27NO2/c1-5-6-7-16-12-8-11(13(12,3)4)14-9-10(2)15/h10-12,14-15H,5-9H2,1-4H3/t10-,11?,12?/m1/s1
InChIKeyOFZVIMQBNWTIRC-VOMCLLRMSA-N
MW229.36 g/mol
LogP1.94
Rot. Bonds7

About (2R)-1-[(3-butoxy-2,2-dimethylcyclobutyl)amino]propan-2-ol

(2R)-1-[(3-butoxy-2,2-dimethylcyclobutyl)amino]propan-2-ol (PubChem CID 103922183) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is (2R)-1-[(3-butoxy-2,2-dimethylcyclobutyl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(3-butoxy-2,2-dimethylcyclobutyl)amino]propan-2-ol
PubChem CID103922183
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name(2R)-1-[(3-butoxy-2,2-dimethylcyclobutyl)amino]propan-2-ol
SMILESCCCCOC1CC(NC[C@@H](C)O)C1(C)C
InChIInChI=1S/C13H27NO2/c1-5-6-7-16-12-8-11(13(12,3)4)14-9-10(2)15/h10-12,14-15H,5-9H2,1-4H3/t10-,11?,12?/m1/s1
InChIKeyOFZVIMQBNWTIRC-VOMCLLRMSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-butoxy-N-(2-chloroprop-2-enyl)-2,2-dimethylcyclobutan-1-amine
CID 115906348
cis-(1R,3S)-3-butoxy-N,2,2-trimethylcyclobutan-1-amine
CID 95757330
1-(3-butoxy-2,2-dimethylcyclobutyl)-2-(2-methylpropyl)guanidine
CID 111823203
(3S)-4-amino-N-[(1S,3R)-3-butoxy-2,2-dimethylcyclobutyl]-3-methylbutanamide
CID 100632174
3-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-methylbutanamide;hydrochloride
CID 120502255
(3S)-4-amino-N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-3-methylbutanamide
CID 100632207
4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)pentanamide
CID 120563993
1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-4-methylpentan-2-ol
CID 103921147
(2S)-2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3,3-dimethylbutanamide
CID 119819267
1-(3-butoxy-2,2-dimethylcyclobutyl)-2,3-dimethylguanidine
CID 111757560
3-[(3-butoxy-2,2-dimethylcyclobutyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122005126
4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3-methoxybutanamide;hydrochloride
CID 120594260

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3-butoxy-2,2-dimethylcyclobutyl)amino]propan-2-ol?
The IUPAC name of (2R)-1-[(3-butoxy-2,2-dimethylcyclobutyl)amino]propan-2-ol (CID 103922183) is (2R)-1-[(3-butoxy-2,2-dimethylcyclobutyl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[(3-butoxy-2,2-dimethylcyclobutyl)amino]propan-2-ol?
The canonical SMILES for (2R)-1-[(3-butoxy-2,2-dimethylcyclobutyl)amino]propan-2-ol is CCCCOC1CC(NC[C@@H](C)O)C1(C)C.
What is the InChIKey of (2R)-1-[(3-butoxy-2,2-dimethylcyclobutyl)amino]propan-2-ol?
The InChIKey is OFZVIMQBNWTIRC-VOMCLLRMSA-N. The full InChI is InChI=1S/C13H27NO2/c1-5-6-7-16-12-8-11(13(12,3)4)14-9-10(2)15/h10-12,14-15H,5-9H2,1-4H3/t10-,11?,12?/m1/s1.
What are the key properties of (2R)-1-[(3-butoxy-2,2-dimethylcyclobutyl)amino]propan-2-ol?
(2R)-1-[(3-butoxy-2,2-dimethylcyclobutyl)amino]propan-2-ol has a molecular weight of 229.36 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3-butoxy-2,2-dimethylcyclobutyl)amino]propan-2-ol is sourced from PubChem (CID 103922183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).