3-(methylamino)-3-naphthalen-2-ylpropanenitrile

C14H14N2 — CID 116955229

IUPAC3-(methylamino)-3-naphthalen-2-ylpropanenitrile
SMILESCNC(CC#N)c1ccc2ccccc2c1
InChIInChI=1S/C14H14N2/c1-16-14(8-9-15)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,14,16H,8H2,1H3
InChIKeyVMHZCGLGDBDMQN-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.01
Rot. Bonds3

About 3-(methylamino)-3-naphthalen-2-ylpropanenitrile

3-(methylamino)-3-naphthalen-2-ylpropanenitrile (PubChem CID 116955229) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-(methylamino)-3-naphthalen-2-ylpropanenitrile.

Molecular Properties

Compound Name3-(methylamino)-3-naphthalen-2-ylpropanenitrile
PubChem CID116955229
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name3-(methylamino)-3-naphthalen-2-ylpropanenitrile
SMILESCNC(CC#N)c1ccc2ccccc2c1
InChIInChI=1S/C14H14N2/c1-16-14(8-9-15)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,14,16H,8H2,1H3
InChIKeyVMHZCGLGDBDMQN-UHFFFAOYSA-N
XLogP3.01
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-naphthalen-2-ylhexan-1-amine
CID 63416228
N,3-dimethyl-1-naphthalen-2-ylpentan-1-amine
CID 62716073
3,4-dihydroxy-4-naphthalen-2-ylbutanenitrile
CID 171901152
N-methyl-2-(2-methylphenyl)-1-naphthalen-2-ylethanamine
CID 63417370
3-ethoxy-N-methyl-1-naphthalen-2-ylpropan-1-amine
CID 112688302
N-methyl-2-naphthalen-2-ylpropan-1-amine
CID 19847434
N-methyl-1-naphthalen-2-yl-2-propylsulfonylethanamine
CID 64644731
N-methyl-1-naphthalen-2-yl-2-(2-propoxyethoxy)ethanamine
CID 63685085
2-(3-chlorophenyl)-N-methyl-1-naphthalen-2-ylethanamine
CID 63412161
N-methyl-2-(3-methylbutylsulfanyl)-1-naphthalen-2-ylethanamine
CID 107764148
N-methyl-1-naphthalen-2-yl-2-pyridin-3-ylethanamine
CID 62791095
1-chloro-N-methyl-1-naphthalen-2-ylmethanamine
CID 116962174

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-3-naphthalen-2-ylpropanenitrile?
The IUPAC name of 3-(methylamino)-3-naphthalen-2-ylpropanenitrile (CID 116955229) is 3-(methylamino)-3-naphthalen-2-ylpropanenitrile.
What is the SMILES notation for 3-(methylamino)-3-naphthalen-2-ylpropanenitrile?
The canonical SMILES for 3-(methylamino)-3-naphthalen-2-ylpropanenitrile is CNC(CC#N)c1ccc2ccccc2c1.
What is the InChIKey of 3-(methylamino)-3-naphthalen-2-ylpropanenitrile?
The InChIKey is VMHZCGLGDBDMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-16-14(8-9-15)13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,14,16H,8H2,1H3.
What are the key properties of 3-(methylamino)-3-naphthalen-2-ylpropanenitrile?
3-(methylamino)-3-naphthalen-2-ylpropanenitrile has a molecular weight of 210.28 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-3-naphthalen-2-ylpropanenitrile is sourced from PubChem (CID 116955229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).