N-[(5-methylpyrazolidin-3-yl)methyl]-3,4-dihydro-2H-chromen-3-amine

C14H21N3O — CID 74567618

IUPACN-[(5-methylpyrazolidin-3-yl)methyl]-3,4-dihydro-2H-chromen-3-amine
SMILESCC1CC(CNC2COc3ccccc3C2)NN1
InChIInChI=1S/C14H21N3O/c1-10-6-12(17-16-10)8-15-13-7-11-4-2-3-5-14(11)18-9-13/h2-5,10,12-13,15-17H,6-9H2,1H3
InChIKeyORMKSRFKVOMMIG-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.83
Rot. Bonds3

About N-[(5-methylpyrazolidin-3-yl)methyl]-3,4-dihydro-2H-chromen-3-amine

N-[(5-methylpyrazolidin-3-yl)methyl]-3,4-dihydro-2H-chromen-3-amine (PubChem CID 74567618) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(5-methylpyrazolidin-3-yl)methyl]-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound NameN-[(5-methylpyrazolidin-3-yl)methyl]-3,4-dihydro-2H-chromen-3-amine
PubChem CID74567618
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[(5-methylpyrazolidin-3-yl)methyl]-3,4-dihydro-2H-chromen-3-amine
SMILESCC1CC(CNC2COc3ccccc3C2)NN1
InChIInChI=1S/C14H21N3O/c1-10-6-12(17-16-10)8-15-13-7-11-4-2-3-5-14(11)18-9-13/h2-5,10,12-13,15-17H,6-9H2,1H3
InChIKeyORMKSRFKVOMMIG-UHFFFAOYSA-N
XLogP0.83
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-3-amine
CID 25308320
N-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-3-amine
CID 45221354
2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]amino]ethanol
CID 155711300
N-(2-methylbutyl)-3,4-dihydro-2H-chromen-3-amine
CID 115887352
N-fluoro-3,4-dihydro-2H-chromen-3-amine
CID 141437976
N-ethoxy-3,4-dihydro-2H-chromen-3-amine
CID 126985805
(3R)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-3-amine
CID 136718049
N-(3,4-dihydro-2H-chromen-3-yl)propane-1-sulfonamide
CID 53006074
N-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 45244633
N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 56710373
(3S)-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 92560394
(3R)-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 29255868

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazolidin-3-yl)methyl]-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of N-[(5-methylpyrazolidin-3-yl)methyl]-3,4-dihydro-2H-chromen-3-amine (CID 74567618) is N-[(5-methylpyrazolidin-3-yl)methyl]-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for N-[(5-methylpyrazolidin-3-yl)methyl]-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for N-[(5-methylpyrazolidin-3-yl)methyl]-3,4-dihydro-2H-chromen-3-amine is CC1CC(CNC2COc3ccccc3C2)NN1.
What is the InChIKey of N-[(5-methylpyrazolidin-3-yl)methyl]-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is ORMKSRFKVOMMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-6-12(17-16-10)8-15-13-7-11-4-2-3-5-14(11)18-9-13/h2-5,10,12-13,15-17H,6-9H2,1H3.
What are the key properties of N-[(5-methylpyrazolidin-3-yl)methyl]-3,4-dihydro-2H-chromen-3-amine?
N-[(5-methylpyrazolidin-3-yl)methyl]-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 247.34 g/mol, XLogP of 0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazolidin-3-yl)methyl]-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 74567618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).