N'-(3,6-dihydro-2H-pyran-6-ylmethyl)-N-methylpropane-1,3-diamine

C10H20N2O — CID 143974324

IUPACN'-(3,6-dihydro-2H-pyran-6-ylmethyl)-N-methylpropane-1,3-diamine
SMILESCNCCCNCC1C=CCCO1
InChIInChI=1S/C10H20N2O/c1-11-6-4-7-12-9-10-5-2-3-8-13-10/h2,5,10-12H,3-4,6-9H2,1H3
InChIKeyHAMCJBCDOGODET-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.53
Rot. Bonds6

About N'-(3,6-dihydro-2H-pyran-6-ylmethyl)-N-methylpropane-1,3-diamine

N'-(3,6-dihydro-2H-pyran-6-ylmethyl)-N-methylpropane-1,3-diamine (PubChem CID 143974324) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N'-(3,6-dihydro-2H-pyran-6-ylmethyl)-N-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3,6-dihydro-2H-pyran-6-ylmethyl)-N-methylpropane-1,3-diamine
PubChem CID143974324
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN'-(3,6-dihydro-2H-pyran-6-ylmethyl)-N-methylpropane-1,3-diamine
SMILESCNCCCNCC1C=CCCO1
InChIInChI=1S/C10H20N2O/c1-11-6-4-7-12-9-10-5-2-3-8-13-10/h2,5,10-12H,3-4,6-9H2,1H3
InChIKeyHAMCJBCDOGODET-UHFFFAOYSA-N
XLogP0.53
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-(4,4-difluoropent-2-enoxy)-N-methylpropan-1-amine
CID 91089788
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2-[(1E)-buta-1,3-dienyl]morpholine
CID 18958909
3-Propan-2-yloxy-1,2,3,6-tetrahydropyridine
CID 57751839
2-(2-Methylprop-1-enyl)morpholine
CID 67801913
3-Methoxy-1,2,3,6-tetrahydropyridine
CID 68102964
2-Hex-1-enylmorpholine
CID 68588543
2,2-bis[(E)-but-1-enyl]morpholine
CID 68589112
2,2-Bis(but-1-enyl)morpholine
CID 68589117
2-[(E)-pent-2-en-2-yl]morpholine
CID 68590208
2-Pent-2-en-2-ylmorpholine
CID 68590213
2-But-1-enyl-2-methylmorpholine
CID 68590215

Frequently Asked Questions

What is the IUPAC name of N'-(3,6-dihydro-2H-pyran-6-ylmethyl)-N-methylpropane-1,3-diamine?
The IUPAC name of N'-(3,6-dihydro-2H-pyran-6-ylmethyl)-N-methylpropane-1,3-diamine (CID 143974324) is N'-(3,6-dihydro-2H-pyran-6-ylmethyl)-N-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(3,6-dihydro-2H-pyran-6-ylmethyl)-N-methylpropane-1,3-diamine?
The canonical SMILES for N'-(3,6-dihydro-2H-pyran-6-ylmethyl)-N-methylpropane-1,3-diamine is CNCCCNCC1C=CCCO1.
What is the InChIKey of N'-(3,6-dihydro-2H-pyran-6-ylmethyl)-N-methylpropane-1,3-diamine?
The InChIKey is HAMCJBCDOGODET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-11-6-4-7-12-9-10-5-2-3-8-13-10/h2,5,10-12H,3-4,6-9H2,1H3.
What are the key properties of N'-(3,6-dihydro-2H-pyran-6-ylmethyl)-N-methylpropane-1,3-diamine?
N'-(3,6-dihydro-2H-pyran-6-ylmethyl)-N-methylpropane-1,3-diamine has a molecular weight of 184.28 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,6-dihydro-2H-pyran-6-ylmethyl)-N-methylpropane-1,3-diamine is sourced from PubChem (CID 143974324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).