N'-[(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]butane-1,4-diamine;methoxymethane

C12H27N3O2 — CID 143810615

IUPACN'-[(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]butane-1,4-diamine;methoxymethane
SMILESCOC.NCCCCN[C@@H]1CC=C(CN)OC1
InChIInChI=1S/C10H21N3O.C2H6O/c11-5-1-2-6-13-9-3-4-10(7-12)14-8-9;1-3-2/h4,9,13H,1-3,5-8,11-12H2;1-2H3/t9-;/m1./s1
InChIKeyXCZXFOVMANSYPS-SBSPUUFOSA-N
MW245.37 g/mol
LogP0.21
Rot. Bonds6

About N'-[(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]butane-1,4-diamine;methoxymethane

N'-[(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]butane-1,4-diamine;methoxymethane (PubChem CID 143810615) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is N'-[(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]butane-1,4-diamine;methoxymethane.

Molecular Properties

Compound NameN'-[(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]butane-1,4-diamine;methoxymethane
PubChem CID143810615
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC NameN'-[(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]butane-1,4-diamine;methoxymethane
SMILESCOC.NCCCCN[C@@H]1CC=C(CN)OC1
InChIInChI=1S/C10H21N3O.C2H6O/c11-5-1-2-6-13-9-3-4-10(7-12)14-8-9;1-3-2/h4,9,13H,1-3,5-8,11-12H2;1-2H3/t9-;/m1./s1
InChIKeyXCZXFOVMANSYPS-SBSPUUFOSA-N
XLogP0.21
TPSA82.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]butane-1,4-diamine;methoxymethane with MolForge

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Related Compounds

4-fluoro-N-methyl-2-propoxycyclohexa-2,4-dien-1-amine
CID 174310276
1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 102647259
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 102647260
1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 102647261
1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 102647827
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 102647828
1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 102647829
N-[1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethyl]propan-1-amine
CID 102649135
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,2,2-trifluoroethanamine
CID 102649349
1-(3,4-dihydro-2H-pyran-6-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148720
3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylpropan-1-amine
CID 103149273
3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylpropan-1-amine
CID 103149609

Frequently Asked Questions

What is the IUPAC name of N'-[(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]butane-1,4-diamine;methoxymethane?
The IUPAC name of N'-[(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]butane-1,4-diamine;methoxymethane (CID 143810615) is N'-[(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]butane-1,4-diamine;methoxymethane.
What is the SMILES notation for N'-[(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]butane-1,4-diamine;methoxymethane?
The canonical SMILES for N'-[(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]butane-1,4-diamine;methoxymethane is COC.NCCCCN[C@@H]1CC=C(CN)OC1.
What is the InChIKey of N'-[(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]butane-1,4-diamine;methoxymethane?
The InChIKey is XCZXFOVMANSYPS-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H21N3O.C2H6O/c11-5-1-2-6-13-9-3-4-10(7-12)14-8-9;1-3-2/h4,9,13H,1-3,5-8,11-12H2;1-2H3/t9-;/m1./s1.
What are the key properties of N'-[(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]butane-1,4-diamine;methoxymethane?
N'-[(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]butane-1,4-diamine;methoxymethane has a molecular weight of 245.37 g/mol, XLogP of 0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]butane-1,4-diamine;methoxymethane is sourced from PubChem (CID 143810615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).