N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-imidazol-1-ylethanamine

C11H17N3O — CID 62065995

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-imidazol-1-ylethanamine
SMILESC1=COC(CNCCn2ccnc2)CC1
InChIInChI=1S/C11H17N3O/c1-2-8-15-11(3-1)9-12-4-6-14-7-5-13-10-14/h2,5,7-8,10-12H,1,3-4,6,9H2
InChIKeyCRLCWHHVDYYBNI-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.17
Rot. Bonds5

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-imidazol-1-ylethanamine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-imidazol-1-ylethanamine (PubChem CID 62065995) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-imidazol-1-ylethanamine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-imidazol-1-ylethanamine
PubChem CID62065995
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-imidazol-1-ylethanamine
SMILESC1=COC(CNCCn2ccnc2)CC1
InChIInChI=1S/C11H17N3O/c1-2-8-15-11(3-1)9-12-4-6-14-7-5-13-10-14/h2,5,7-8,10-12H,1,3-4,6,9H2
InChIKeyCRLCWHHVDYYBNI-UHFFFAOYSA-N
XLogP1.17
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-Dihydrofuran-2-ylmethyl)imidazole
CID 19018773
N-[(5-cyclopentyl-5H-tetrazol-1-ium-1-yl)-[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine
CID 59345437
2-N-[(Z)-aminodiazenyl]-2-N-cyclopentyl-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1-N-(3-imidazol-1-ylpropyl)prop-2-ene-1,2-diamine
CID 89270637
2-N-[(Z)-aminodiazenyl]-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-2-N-[2-(dimethylamino)ethyl]-1-N-(3-imidazol-1-ylpropyl)prop-2-ene-1,2-diamine
CID 89270725
5-(cyclopropylamino)-4-(3,4-dihydro-2H-pyran-2-yl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
CID 90802802
4-(3,4-dihydro-2H-pyran-2-yl)-3-(3-imidazol-1-ylpropyl)-5-(methylamino)-1H-imidazol-2-one
CID 90866143
4-Cyclopentyloxy-3-imidazol-1-yl-1,2,3,6-tetrahydropyridine
CID 91513500
6-[2-(3-Methylimidazol-3-ium-1-yl)ethoxy]hexa-1,5-dien-3-imine
CID 123750973
N-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-pyran-2-amine
CID 173102537
N-(1-imidazol-1-ylpropan-2-yl)-2-methoxycyclohexan-1-amine
CID 43792000
N-(2-cyclohexyloxyethyl)-3-imidazol-1-ylpropan-1-amine
CID 55260107
2-imidazol-1-yl-N-(oxolan-2-ylmethyl)ethanamine
CID 60683941

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-imidazol-1-ylethanamine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-imidazol-1-ylethanamine (CID 62065995) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-imidazol-1-ylethanamine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-imidazol-1-ylethanamine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-imidazol-1-ylethanamine is C1=COC(CNCCn2ccnc2)CC1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-imidazol-1-ylethanamine?
The InChIKey is CRLCWHHVDYYBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-8-15-11(3-1)9-12-4-6-14-7-5-13-10-14/h2,5,7-8,10-12H,1,3-4,6,9H2.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-imidazol-1-ylethanamine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-imidazol-1-ylethanamine has a molecular weight of 207.28 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-imidazol-1-ylethanamine is sourced from PubChem (CID 62065995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).