1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclopropane-1-carbonitrile

C14H16N2O — CID 116942980

IUPAC1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclopropane-1-carbonitrile
SMILESN#CC1(C(N)c2ccc3c(c2)CCCO3)CC1
InChIInChI=1S/C14H16N2O/c15-9-14(5-6-14)13(16)11-3-4-12-10(8-11)2-1-7-17-12/h3-4,8,13H,1-2,5-7,16H2
InChIKeyOCSXMAZBVUTITE-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.32
Rot. Bonds2

About 1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclopropane-1-carbonitrile

1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclopropane-1-carbonitrile (PubChem CID 116942980) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclopropane-1-carbonitrile
PubChem CID116942980
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclopropane-1-carbonitrile
SMILESN#CC1(C(N)c2ccc3c(c2)CCCO3)CC1
InChIInChI=1S/C14H16N2O/c15-9-14(5-6-14)13(16)11-3-4-12-10(8-11)2-1-7-17-12/h3-4,8,13H,1-2,5-7,16H2
InChIKeyOCSXMAZBVUTITE-UHFFFAOYSA-N
XLogP2.32
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3,4-dihydro-2H-chromen-6-yl(methylamino)methyl]cyclobutane-1-carbonitrile
CID 116958684
3-amino-3-(3,4-dihydro-2H-chromen-6-yl)propanenitrile
CID 116851252
1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclobutane-1-carboxylic acid
CID 116944092
[1-[amino(2,3-dihydro-1-benzofuran-5-yl)methyl]cyclobutyl]methanol
CID 116944240
1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 63731423
1-[3,4-dihydro-2H-chromen-6-yl(methylamino)methyl]cyclopropan-1-amine
CID 116961239
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 82241106
1,3-diamino-1-(3,4-dihydro-2H-chromen-6-yl)propan-2-ol
CID 116942558
3,4-dihydro-2H-chromen-6-yl-(2-methylcyclopropyl)methanamine
CID 61027220
2,3-dihydro-1-benzofuran-5-yl-(1-methoxycyclohexyl)methanamine
CID 116762801
3,4-dihydro-2H-chromen-6-yl-(1-methylcyclohexyl)methanol
CID 106828329
2-cyclobutyl-1-(3,4-dihydro-2H-chromen-6-yl)ethanamine
CID 103163028

Frequently Asked Questions

What is the IUPAC name of 1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclopropane-1-carbonitrile (CID 116942980) is 1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclopropane-1-carbonitrile is N#CC1(C(N)c2ccc3c(c2)CCCO3)CC1.
What is the InChIKey of 1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclopropane-1-carbonitrile?
The InChIKey is OCSXMAZBVUTITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c15-9-14(5-6-14)13(16)11-3-4-12-10(8-11)2-1-7-17-12/h3-4,8,13H,1-2,5-7,16H2.
What are the key properties of 1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclopropane-1-carbonitrile?
1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclopropane-1-carbonitrile has a molecular weight of 228.29 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 116942980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).