N'-[[3-(methylamino)-3,6-dihydro-2H-pyran-6-yl]methyl]propane-1,3-diamine

C10H21N3O — CID 91094343

IUPACN'-[[3-(methylamino)-3,6-dihydro-2H-pyran-6-yl]methyl]propane-1,3-diamine
SMILESCNC1C=CC(CNCCCN)OC1
InChIInChI=1S/C10H21N3O/c1-12-9-3-4-10(14-8-9)7-13-6-2-5-11/h3-4,9-10,12-13H,2,5-8,11H2,1H3
InChIKeyGNZBEXJVEUGUJI-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.53
Rot. Bonds6

About N'-[[3-(methylamino)-3,6-dihydro-2H-pyran-6-yl]methyl]propane-1,3-diamine

N'-[[3-(methylamino)-3,6-dihydro-2H-pyran-6-yl]methyl]propane-1,3-diamine (PubChem CID 91094343) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is N'-[[3-(methylamino)-3,6-dihydro-2H-pyran-6-yl]methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[[3-(methylamino)-3,6-dihydro-2H-pyran-6-yl]methyl]propane-1,3-diamine
PubChem CID91094343
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC NameN'-[[3-(methylamino)-3,6-dihydro-2H-pyran-6-yl]methyl]propane-1,3-diamine
SMILESCNC1C=CC(CNCCCN)OC1
InChIInChI=1S/C10H21N3O/c1-12-9-3-4-10(14-8-9)7-13-6-2-5-11/h3-4,9-10,12-13H,2,5-8,11H2,1H3
InChIKeyGNZBEXJVEUGUJI-UHFFFAOYSA-N
XLogP-0.53
TPSA59.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(E)-3-fluoropent-3-en-2-yl]oxyethyl]propan-2-amine
CID 139410249
(5E)-6-fluoro-N-methyl-4-propan-2-yloxyhepta-1,5-dien-3-amine
CID 145312229
3-Propan-2-yloxy-1,2,3,6-tetrahydropyridine
CID 57751839
(E,4R)-4,6-dimethoxy-5-N-methylhex-2-ene-1,5-diamine
CID 58730214
N,6-dimethyl-3,6-dihydro-2H-pyran-3-amine
CID 59398020
3-Methoxy-1,2,3,6-tetrahydropyridine
CID 68102964
2-Pent-1-enylmorpholine
CID 68590333
2-But-1-enylmorpholine
CID 68590433
2-(But-1-en-1-yl)morpholine
CID 87508389
6-(aminomethoxy)-N-methylcyclohexa-2,4-dien-1-amine
CID 89209439
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

Frequently Asked Questions

What is the IUPAC name of N'-[[3-(methylamino)-3,6-dihydro-2H-pyran-6-yl]methyl]propane-1,3-diamine?
The IUPAC name of N'-[[3-(methylamino)-3,6-dihydro-2H-pyran-6-yl]methyl]propane-1,3-diamine (CID 91094343) is N'-[[3-(methylamino)-3,6-dihydro-2H-pyran-6-yl]methyl]propane-1,3-diamine.
What is the SMILES notation for N'-[[3-(methylamino)-3,6-dihydro-2H-pyran-6-yl]methyl]propane-1,3-diamine?
The canonical SMILES for N'-[[3-(methylamino)-3,6-dihydro-2H-pyran-6-yl]methyl]propane-1,3-diamine is CNC1C=CC(CNCCCN)OC1.
What is the InChIKey of N'-[[3-(methylamino)-3,6-dihydro-2H-pyran-6-yl]methyl]propane-1,3-diamine?
The InChIKey is GNZBEXJVEUGUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-12-9-3-4-10(14-8-9)7-13-6-2-5-11/h3-4,9-10,12-13H,2,5-8,11H2,1H3.
What are the key properties of N'-[[3-(methylamino)-3,6-dihydro-2H-pyran-6-yl]methyl]propane-1,3-diamine?
N'-[[3-(methylamino)-3,6-dihydro-2H-pyran-6-yl]methyl]propane-1,3-diamine has a molecular weight of 199.30 g/mol, XLogP of -0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-(methylamino)-3,6-dihydro-2H-pyran-6-yl]methyl]propane-1,3-diamine is sourced from PubChem (CID 91094343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).