3-[[(2-methyl-3,4-dihydro-2H-pyran-6-yl)methylamino]methyl]cyclobutan-1-amine

C12H22N2O — CID 91112845

IUPAC3-[[(2-methyl-3,4-dihydro-2H-pyran-6-yl)methylamino]methyl]cyclobutan-1-amine
SMILESCC1CCC=C(CNCC2CC(N)C2)O1
InChIInChI=1S/C12H22N2O/c1-9-3-2-4-12(15-9)8-14-7-10-5-11(13)6-10/h4,9-11,14H,2-3,5-8,13H2,1H3
InChIKeyGOCRDPAUHCXHRN-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.40
Rot. Bonds4

About 3-[[(2-methyl-3,4-dihydro-2H-pyran-6-yl)methylamino]methyl]cyclobutan-1-amine

3-[[(2-methyl-3,4-dihydro-2H-pyran-6-yl)methylamino]methyl]cyclobutan-1-amine (PubChem CID 91112845) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-[[(2-methyl-3,4-dihydro-2H-pyran-6-yl)methylamino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[[(2-methyl-3,4-dihydro-2H-pyran-6-yl)methylamino]methyl]cyclobutan-1-amine
PubChem CID91112845
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-[[(2-methyl-3,4-dihydro-2H-pyran-6-yl)methylamino]methyl]cyclobutan-1-amine
SMILESCC1CCC=C(CNCC2CC(N)C2)O1
InChIInChI=1S/C12H22N2O/c1-9-3-2-4-12(15-9)8-14-7-10-5-11(13)6-10/h4,9-11,14H,2-3,5-8,13H2,1H3
InChIKeyGOCRDPAUHCXHRN-UHFFFAOYSA-N
XLogP1.40
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-2-methyl-6-(methylaminomethyl)-3,4-dihydro-2H-pyran-3-amine
CID 60076848
N'-[6-[[(3-aminocyclobutyl)methylamino]methyl]-3,4-dihydro-2H-pyran-3-yl]ethanimidamide
CID 90867869
6-[[[3-(methylamino)cyclobutyl]methylamino]methyl]-3,6-dihydro-2H-pyran-3-amine
CID 90873463
N-[(3-methyl-3,4-dihydro-2H-pyran-6-yl)methyl]pentan-1-amine
CID 90981708
1-cyclopropyl-N-[[3-(methylaminomethyl)-3,4-dihydro-2H-pyran-6-yl]methyl]methanamine
CID 91173904
6-(propylaminomethyl)-3,4-dihydro-2H-pyran-3-amine
CID 123446575
(3R)-6-[(cyclopropylmethylamino)methyl]-3,4-dihydro-2H-pyran-3-amine
CID 126745342
3-[(3,4-dihydro-2H-pyran-6-ylmethylamino)methyl]cyclobutan-1-amine
CID 126745654
(3R)-6-(aminomethyl)-N-propyl-3,4-dihydro-2H-pyran-3-amine
CID 126745797
N'-[(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]butane-1,4-diamine;methoxymethane
CID 143810615
6-(aminomethyl)-2-ethyl-N-methyl-3,4-dihydro-2H-pyran-3-amine
CID 163805361
(E,2S)-N-methyl-5-(5-propan-2-yloxypiperidin-3-yl)pent-4-en-2-amine
CID 24961444

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-methyl-3,4-dihydro-2H-pyran-6-yl)methylamino]methyl]cyclobutan-1-amine?
The IUPAC name of 3-[[(2-methyl-3,4-dihydro-2H-pyran-6-yl)methylamino]methyl]cyclobutan-1-amine (CID 91112845) is 3-[[(2-methyl-3,4-dihydro-2H-pyran-6-yl)methylamino]methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[[(2-methyl-3,4-dihydro-2H-pyran-6-yl)methylamino]methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[[(2-methyl-3,4-dihydro-2H-pyran-6-yl)methylamino]methyl]cyclobutan-1-amine is CC1CCC=C(CNCC2CC(N)C2)O1.
What is the InChIKey of 3-[[(2-methyl-3,4-dihydro-2H-pyran-6-yl)methylamino]methyl]cyclobutan-1-amine?
The InChIKey is GOCRDPAUHCXHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9-3-2-4-12(15-9)8-14-7-10-5-11(13)6-10/h4,9-11,14H,2-3,5-8,13H2,1H3.
What are the key properties of 3-[[(2-methyl-3,4-dihydro-2H-pyran-6-yl)methylamino]methyl]cyclobutan-1-amine?
3-[[(2-methyl-3,4-dihydro-2H-pyran-6-yl)methylamino]methyl]cyclobutan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-methyl-3,4-dihydro-2H-pyran-6-yl)methylamino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 91112845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).