1-[[(6-methoxynaphthalen-2-yl)amino]methyl]cyclopropane-1-carbonitrile

C16H16N2O — CID 115242037

IUPAC1-[[(6-methoxynaphthalen-2-yl)amino]methyl]cyclopropane-1-carbonitrile
SMILESCOc1ccc2cc(NCC3(C#N)CC3)ccc2c1
InChIInChI=1S/C16H16N2O/c1-19-15-5-3-12-8-14(4-2-13(12)9-15)18-11-16(10-17)6-7-16/h2-5,8-9,18H,6-7,11H2,1H3
InChIKeyGRHGUZFFLZQAAY-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.56
Rot. Bonds4

About 1-[[(6-methoxynaphthalen-2-yl)amino]methyl]cyclopropane-1-carbonitrile

1-[[(6-methoxynaphthalen-2-yl)amino]methyl]cyclopropane-1-carbonitrile (PubChem CID 115242037) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-[[(6-methoxynaphthalen-2-yl)amino]methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[(6-methoxynaphthalen-2-yl)amino]methyl]cyclopropane-1-carbonitrile
PubChem CID115242037
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name1-[[(6-methoxynaphthalen-2-yl)amino]methyl]cyclopropane-1-carbonitrile
SMILESCOc1ccc2cc(NCC3(C#N)CC3)ccc2c1
InChIInChI=1S/C16H16N2O/c1-19-15-5-3-12-8-14(4-2-13(12)9-15)18-11-16(10-17)6-7-16/h2-5,8-9,18H,6-7,11H2,1H3
InChIKeyGRHGUZFFLZQAAY-UHFFFAOYSA-N
XLogP3.56
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-tert-butyl-4-methoxyanilino)methyl]cyclopropane-1-carbonitrile
CID 115241931
1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242210
6-methoxy-N-(2,2,2-trifluoroethyl)naphthalen-2-amine
CID 115257711
N'-(6-methoxynaphthalen-2-yl)-2-methylpropane-1,3-diamine
CID 115198334
2-[1-[(3-methoxyanilino)methyl]cyclopropyl]acetonitrile
CID 65480955
6-methoxy-N-methylnaphthalen-2-amine
CID 20594775
2-[(6-methoxynaphthalen-2-yl)amino]propanenitrile
CID 115129936
4-[(6-methoxynaphthalen-2-yl)amino]butan-1-ol
CID 115217433
3-(6-methoxynaphthalen-2-yl)but-2-enenitrile
CID 76913798
1-[(2,3-dihydro-1-benzofuran-5-ylamino)methyl]cyclopropane-1-carbonitrile
CID 115242014
N-cyclopropyl-N'-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine
CID 115206803
1-[(2-chloro-4-methoxyphenyl)methyl]cyclopropane-1-carbonitrile
CID 116837117

Frequently Asked Questions

What is the IUPAC name of 1-[[(6-methoxynaphthalen-2-yl)amino]methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[[(6-methoxynaphthalen-2-yl)amino]methyl]cyclopropane-1-carbonitrile (CID 115242037) is 1-[[(6-methoxynaphthalen-2-yl)amino]methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[(6-methoxynaphthalen-2-yl)amino]methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[(6-methoxynaphthalen-2-yl)amino]methyl]cyclopropane-1-carbonitrile is COc1ccc2cc(NCC3(C#N)CC3)ccc2c1.
What is the InChIKey of 1-[[(6-methoxynaphthalen-2-yl)amino]methyl]cyclopropane-1-carbonitrile?
The InChIKey is GRHGUZFFLZQAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-19-15-5-3-12-8-14(4-2-13(12)9-15)18-11-16(10-17)6-7-16/h2-5,8-9,18H,6-7,11H2,1H3.
What are the key properties of 1-[[(6-methoxynaphthalen-2-yl)amino]methyl]cyclopropane-1-carbonitrile?
1-[[(6-methoxynaphthalen-2-yl)amino]methyl]cyclopropane-1-carbonitrile has a molecular weight of 252.32 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-methoxynaphthalen-2-yl)amino]methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 115242037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).