trans-(1R,2R)-2-(3-methoxypropylamino)cyclobutan-1-ol

C8H17NO2 — CID 131701462

IUPACtrans-(1R,2R)-2-(3-methoxypropylamino)cyclobutan-1-ol
SMILESCOCCCN[C@@H]1CC[C@H]1O
InChIInChI=1S/C8H17NO2/c1-11-6-2-5-9-7-3-4-8(7)10/h7-10H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyUZCVURVSAJABOP-HTQZYQBOSA-N
MW159.23 g/mol
LogP0.14
Rot. Bonds5

About trans-(1R,2R)-2-(3-methoxypropylamino)cyclobutan-1-ol

trans-(1R,2R)-2-(3-methoxypropylamino)cyclobutan-1-ol (PubChem CID 131701462) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3-methoxypropylamino)cyclobutan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3-methoxypropylamino)cyclobutan-1-ol
PubChem CID131701462
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Nametrans-(1R,2R)-2-(3-methoxypropylamino)cyclobutan-1-ol
SMILESCOCCCN[C@@H]1CC[C@H]1O
InChIInChI=1S/C8H17NO2/c1-11-6-2-5-9-7-3-4-8(7)10/h7-10H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyUZCVURVSAJABOP-HTQZYQBOSA-N
XLogP0.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze trans-(1R,2R)-2-(3-methoxypropylamino)cyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methoxypropylamino)cyclobutane-1-carboxylic acid
CID 103237165
cis-(1R,2R)-2-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine
CID 28673271
trans-(1R,2R)-2-(3-ethoxypropylamino)cyclopentan-1-ol
CID 102733020
trans-(1R,2R)-N-(3-methoxypropyl)-2-methylcyclopentan-1-amine
CID 95377511
(2S,3R)-N-(3-methoxypropyl)-2-methyloxolan-3-amine
CID 97358081
(1R,2S,4S)-N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine
CID 6594927
N-[3-(2-methoxyethoxy)propyl]-2,3-dimethylcyclopentan-1-amine
CID 103409528
2-(chloromethyl)-N-(3-methoxypropyl)cyclopentan-1-amine
CID 106364907
(1R,2S,6S,7S,8R)-N-(3-methoxypropyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 124708804
trans-(1R,2R)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine
CID 96923238
cis-(1R,2S)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine
CID 96923239
4-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine
CID 2846375

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3-methoxypropylamino)cyclobutan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(3-methoxypropylamino)cyclobutan-1-ol (CID 131701462) is trans-(1R,2R)-2-(3-methoxypropylamino)cyclobutan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(3-methoxypropylamino)cyclobutan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(3-methoxypropylamino)cyclobutan-1-ol is COCCCN[C@@H]1CC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-(3-methoxypropylamino)cyclobutan-1-ol?
The InChIKey is UZCVURVSAJABOP-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H17NO2/c1-11-6-2-5-9-7-3-4-8(7)10/h7-10H,2-6H2,1H3/t7-,8-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(3-methoxypropylamino)cyclobutan-1-ol?
trans-(1R,2R)-2-(3-methoxypropylamino)cyclobutan-1-ol has a molecular weight of 159.23 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3-methoxypropylamino)cyclobutan-1-ol is sourced from PubChem (CID 131701462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).