6-[[[3-(methylamino)cyclobutyl]methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine

C12H23N3O — CID 90873463

IUPAC6-[[[3-(methylamino)cyclobutyl]methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine
SMILESCNC1CC(CNCC2C=CC(N)CO2)C1
InChIInChI=1S/C12H23N3O/c1-14-11-4-9(5-11)6-15-7-12-3-2-10(13)8-16-12/h2-3,9-12,14-15H,4-8,13H2,1H3
InChIKeyONRSSCNPJMMTRM-UHFFFAOYSA-N
MW225.34 g/mol
LogP-0.14
Rot. Bonds5

About 6-[[[3-(methylamino)cyclobutyl]methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine

6-[[[3-(methylamino)cyclobutyl]methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine (PubChem CID 90873463) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 6-[[[3-(methylamino)cyclobutyl]methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine.

Molecular Properties

Compound Name6-[[[3-(methylamino)cyclobutyl]methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine
PubChem CID90873463
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name6-[[[3-(methylamino)cyclobutyl]methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine
SMILESCNC1CC(CNCC2C=CC(N)CO2)C1
InChIInChI=1S/C12H23N3O/c1-14-11-4-9(5-11)6-15-7-12-3-2-10(13)8-16-12/h2-3,9-12,14-15H,4-8,13H2,1H3
InChIKeyONRSSCNPJMMTRM-UHFFFAOYSA-N
XLogP-0.14
TPSA59.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,6S)-3-amino-6-[[(3-aminocyclobutyl)methylamino]methyl]-3,6-dihydro-2H-pyran-2-ol
CID 68199020
6-[[(3-aminocyclobutyl)methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine
CID 90769866
N-[(3-amino-3,6-dihydro-2H-pyran-6-yl)methyl]-N'-ethyl-N'-methylpropane-1,3-diamine
CID 90861531
N'-[(3-amino-3,6-dihydro-2H-pyran-6-yl)methyl]propane-1,3-diamine
CID 90894278
N'-[[3-(methylamino)-3,6-dihydro-2H-pyran-6-yl]methyl]propane-1,3-diamine
CID 91094343
3-[[(2-methyl-3,4-dihydro-2H-pyran-6-yl)methylamino]methyl]cyclobutan-1-amine
CID 91112845
N'-[(3-amino-3,6-dihydro-2H-pyran-6-yl)methyl]-N-methylpropane-1,3-diamine
CID 91198611
3-[[(3-methyl-3,6-dihydro-2H-pyran-6-yl)methylamino]methyl]cyclobutan-1-amine
CID 91515269
2-methyl-6-[[(3-propan-2-ylcyclobutyl)methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine
CID 91546772
3-[(3,6-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine
CID 143974257
3-[(3,6-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine;ethane
CID 143974272
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylcyclobutan-1-amine
CID 115742241

Frequently Asked Questions

What is the IUPAC name of 6-[[[3-(methylamino)cyclobutyl]methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine?
The IUPAC name of 6-[[[3-(methylamino)cyclobutyl]methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine (CID 90873463) is 6-[[[3-(methylamino)cyclobutyl]methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine.
What is the SMILES notation for 6-[[[3-(methylamino)cyclobutyl]methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine?
The canonical SMILES for 6-[[[3-(methylamino)cyclobutyl]methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine is CNC1CC(CNCC2C=CC(N)CO2)C1.
What is the InChIKey of 6-[[[3-(methylamino)cyclobutyl]methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine?
The InChIKey is ONRSSCNPJMMTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-14-11-4-9(5-11)6-15-7-12-3-2-10(13)8-16-12/h2-3,9-12,14-15H,4-8,13H2,1H3.
What are the key properties of 6-[[[3-(methylamino)cyclobutyl]methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine?
6-[[[3-(methylamino)cyclobutyl]methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine has a molecular weight of 225.34 g/mol, XLogP of -0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[3-(methylamino)cyclobutyl]methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine is sourced from PubChem (CID 90873463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).