N-(1-piperidin-1-ylpropan-2-yl)-3,4-dihydro-2H-chromen-4-amine

C17H26N2O — CID 43749078

IUPACN-(1-piperidin-1-ylpropan-2-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(CN1CCCCC1)NC1CCOc2ccccc21
InChIInChI=1S/C17H26N2O/c1-14(13-19-10-5-2-6-11-19)18-16-9-12-20-17-8-4-3-7-15(16)17/h3-4,7-8,14,16,18H,2,5-6,9-13H2,1H3
InChIKeyMOZZQDPWFCZFAG-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.97
Rot. Bonds4

About N-(1-piperidin-1-ylpropan-2-yl)-3,4-dihydro-2H-chromen-4-amine

N-(1-piperidin-1-ylpropan-2-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43749078) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(1-piperidin-1-ylpropan-2-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-(1-piperidin-1-ylpropan-2-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID43749078
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(1-piperidin-1-ylpropan-2-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(CN1CCCCC1)NC1CCOc2ccccc21
InChIInChI=1S/C17H26N2O/c1-14(13-19-10-5-2-6-11-19)18-16-9-12-20-17-8-4-3-7-15(16)17/h3-4,7-8,14,16,18H,2,5-6,9-13H2,1H3
InChIKeyMOZZQDPWFCZFAG-UHFFFAOYSA-N
XLogP2.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418345
2-N-(3,4-dihydro-2H-chromen-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82939350
N-(4-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 115721989
(2R)-2-(2,3,4,5-tetrahydro-1-benzoxepin-5-ylamino)propan-1-ol
CID 103778563
N-[1-(2-methylphenyl)propan-2-yl]-3,4-dihydro-2H-chromen-4-amine
CID 60943496
N-(3-ethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 63842967
N-(1-pyrrolidin-1-ylpropan-2-yl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 61474832
N-(1-morpholin-4-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 43675875
N-(4-ethylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 115725491
3-(1-piperidin-1-ylpropan-2-ylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43749158
N-(1-morpholin-4-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43675785
3-(3,4-dihydro-2H-chromen-4-ylamino)-N'-hydroxybutanimidamide
CID 77028469

Frequently Asked Questions

What is the IUPAC name of N-(1-piperidin-1-ylpropan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-(1-piperidin-1-ylpropan-2-yl)-3,4-dihydro-2H-chromen-4-amine (CID 43749078) is N-(1-piperidin-1-ylpropan-2-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-(1-piperidin-1-ylpropan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-(1-piperidin-1-ylpropan-2-yl)-3,4-dihydro-2H-chromen-4-amine is CC(CN1CCCCC1)NC1CCOc2ccccc21.
What is the InChIKey of N-(1-piperidin-1-ylpropan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is MOZZQDPWFCZFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14(13-19-10-5-2-6-11-19)18-16-9-12-20-17-8-4-3-7-15(16)17/h3-4,7-8,14,16,18H,2,5-6,9-13H2,1H3.
What are the key properties of N-(1-piperidin-1-ylpropan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
N-(1-piperidin-1-ylpropan-2-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 274.41 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperidin-1-ylpropan-2-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43749078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).