2-(3,4-dihydro-2H-chromen-6-yl)-N-(hydrazinylmethyl)ethanamine

C12H19N3O — CID 115261148

IUPAC2-(3,4-dihydro-2H-chromen-6-yl)-N-(hydrazinylmethyl)ethanamine
SMILESNNCNCCc1ccc2c(c1)CCCO2
InChIInChI=1S/C12H19N3O/c13-15-9-14-6-5-10-3-4-12-11(8-10)2-1-7-16-12/h3-4,8,14-15H,1-2,5-7,9,13H2
InChIKeyDYINTHLVDNKLHJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.56
Rot. Bonds5

About 2-(3,4-dihydro-2H-chromen-6-yl)-N-(hydrazinylmethyl)ethanamine

2-(3,4-dihydro-2H-chromen-6-yl)-N-(hydrazinylmethyl)ethanamine (PubChem CID 115261148) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-6-yl)-N-(hydrazinylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-6-yl)-N-(hydrazinylmethyl)ethanamine
PubChem CID115261148
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-(3,4-dihydro-2H-chromen-6-yl)-N-(hydrazinylmethyl)ethanamine
SMILESNNCNCCc1ccc2c(c1)CCCO2
InChIInChI=1S/C12H19N3O/c13-15-9-14-6-5-10-3-4-12-11(8-10)2-1-7-16-12/h3-4,8,14-15H,1-2,5-7,9,13H2
InChIKeyDYINTHLVDNKLHJ-UHFFFAOYSA-N
XLogP0.56
TPSA59.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3,4-dihydro-2H-chromen-6-yl)ethylamino]ethanol
CID 96659085
2-(3,4-dihydro-2H-chromen-6-yl)ethylurea
CID 115168538
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethane-1,2-diamine
CID 65444450
methyl 2-[2-(3,4-dihydro-2H-chromen-6-yl)ethylamino]acetate
CID 115233066
6-(3,4-dihydro-2H-chromen-6-yl)-N-ethylhexan-1-amine
CID 65306061
N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide
CID 110790414
N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-phenylacetamide
CID 110790434
3-[[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]methyl]cyclobutan-1-amine
CID 115214309
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 106813163
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylbutane-1,3-diamine
CID 115200827
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]ethyl carbamate
CID 83210158
3-[4-[[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]methyl]phenyl]propan-1-amine
CID 143299498

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-6-yl)-N-(hydrazinylmethyl)ethanamine?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-6-yl)-N-(hydrazinylmethyl)ethanamine (CID 115261148) is 2-(3,4-dihydro-2H-chromen-6-yl)-N-(hydrazinylmethyl)ethanamine.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-6-yl)-N-(hydrazinylmethyl)ethanamine?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-6-yl)-N-(hydrazinylmethyl)ethanamine is NNCNCCc1ccc2c(c1)CCCO2.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-6-yl)-N-(hydrazinylmethyl)ethanamine?
The InChIKey is DYINTHLVDNKLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c13-15-9-14-6-5-10-3-4-12-11(8-10)2-1-7-16-12/h3-4,8,14-15H,1-2,5-7,9,13H2.
What are the key properties of 2-(3,4-dihydro-2H-chromen-6-yl)-N-(hydrazinylmethyl)ethanamine?
2-(3,4-dihydro-2H-chromen-6-yl)-N-(hydrazinylmethyl)ethanamine has a molecular weight of 221.30 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-6-yl)-N-(hydrazinylmethyl)ethanamine is sourced from PubChem (CID 115261148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).