N-[(3-cyclopropylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine

C16H19N3O — CID 66161723

IUPACN-[(3-cyclopropylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESc1ccc2c(c1)OCCC2NCc1cncn1C1CC1
InChIInChI=1S/C16H19N3O/c1-2-4-16-14(3-1)15(7-8-20-16)18-10-13-9-17-11-19(13)12-5-6-12/h1-4,9,11-12,15,18H,5-8,10H2
InChIKeyYVAIRVXMDBFUSU-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.83
Rot. Bonds4

About N-[(3-cyclopropylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine

N-[(3-cyclopropylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 66161723) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[(3-cyclopropylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID66161723
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[(3-cyclopropylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESc1ccc2c(c1)OCCC2NCc1cncn1C1CC1
InChIInChI=1S/C16H19N3O/c1-2-4-16-14(3-1)15(7-8-20-16)18-10-13-9-17-11-19(13)12-5-6-12/h1-4,9,11-12,15,18H,5-8,10H2
InChIKeyYVAIRVXMDBFUSU-UHFFFAOYSA-N
XLogP2.83
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine (CID 66161723) is N-[(3-cyclopropylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-[(3-cyclopropylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-[(3-cyclopropylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine is c1ccc2c(c1)OCCC2NCc1cncn1C1CC1.
What is the InChIKey of N-[(3-cyclopropylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is YVAIRVXMDBFUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-4-16-14(3-1)15(7-8-20-16)18-10-13-9-17-11-19(13)12-5-6-12/h1-4,9,11-12,15,18H,5-8,10H2.
What are the key properties of N-[(3-cyclopropylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
N-[(3-cyclopropylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 269.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylimidazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 66161723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).