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

C11H21N3O — CID 90769866

IUPAC6-[[(3-aminocyclobutyl)methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine
SMILESNC1C=CC(CNCC2CC(N)C2)OC1
InChIInChI=1S/C11H21N3O/c12-9-1-2-11(15-7-9)6-14-5-8-3-10(13)4-8/h1-2,8-11,14H,3-7,12-13H2
InChIKeyDNLLMKCMTLGGAA-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.40
Rot. Bonds4

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

6-[[(3-aminocyclobutyl)methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine (PubChem CID 90769866) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 6-[[(3-aminocyclobutyl)methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine.

Molecular Properties

Compound Name6-[[(3-aminocyclobutyl)methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine
PubChem CID90769866
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name6-[[(3-aminocyclobutyl)methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine
SMILESNC1C=CC(CNCC2CC(N)C2)OC1
InChIInChI=1S/C11H21N3O/c12-9-1-2-11(15-7-9)6-14-5-8-3-10(13)4-8/h1-2,8-11,14H,3-7,12-13H2
InChIKeyDNLLMKCMTLGGAA-UHFFFAOYSA-N
XLogP-0.40
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.40
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-(methylamino)cyclobutyl]methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine
CID 90873463
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
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

Frequently Asked Questions

What is the IUPAC name of 6-[[(3-aminocyclobutyl)methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine?
The IUPAC name of 6-[[(3-aminocyclobutyl)methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine (CID 90769866) is 6-[[(3-aminocyclobutyl)methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine.
What is the SMILES notation for 6-[[(3-aminocyclobutyl)methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine?
The canonical SMILES for 6-[[(3-aminocyclobutyl)methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine is NC1C=CC(CNCC2CC(N)C2)OC1.
What is the InChIKey of 6-[[(3-aminocyclobutyl)methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine?
The InChIKey is DNLLMKCMTLGGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c12-9-1-2-11(15-7-9)6-14-5-8-3-10(13)4-8/h1-2,8-11,14H,3-7,12-13H2.
What are the key properties of 6-[[(3-aminocyclobutyl)methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine?
6-[[(3-aminocyclobutyl)methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine has a molecular weight of 211.31 g/mol, XLogP of -0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3-aminocyclobutyl)methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine is sourced from PubChem (CID 90769866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).