2-methyl-3-(naphthalen-1-ylamino)propanenitrile

C14H14N2 — CID 43245410

IUPAC2-methyl-3-(naphthalen-1-ylamino)propanenitrile
SMILESCC(C#N)CNc1cccc2ccccc12
InChIInChI=1S/C14H14N2/c1-11(9-15)10-16-14-8-4-6-12-5-2-3-7-13(12)14/h2-8,11,16H,10H2,1H3
InChIKeyKIZUWIJSUOGVNW-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.41
Rot. Bonds3

About 2-methyl-3-(naphthalen-1-ylamino)propanenitrile

2-methyl-3-(naphthalen-1-ylamino)propanenitrile (PubChem CID 43245410) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-methyl-3-(naphthalen-1-ylamino)propanenitrile.

Molecular Properties

Compound Name2-methyl-3-(naphthalen-1-ylamino)propanenitrile
PubChem CID43245410
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name2-methyl-3-(naphthalen-1-ylamino)propanenitrile
SMILESCC(C#N)CNc1cccc2ccccc12
InChIInChI=1S/C14H14N2/c1-11(9-15)10-16-14-8-4-6-12-5-2-3-7-13(12)14/h2-8,11,16H,10H2,1H3
InChIKeyKIZUWIJSUOGVNW-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(naphthalen-1-ylamino)propanenitrile
CID 57213700
2,2-dimethyl-3-(naphthalen-1-ylamino)propanenitrile
CID 115233857
N-naphthalen-1-yl-N'-propan-2-ylethane-1,2-diamine
CID 115206310
3-(naphthalen-1-ylamino)propane-1,2-diol
CID 3017963
N-[2-(4-methylphenoxy)propyl]naphthalen-1-amine
CID 54795940
1-(1-cyanoethyl)-3-naphthalen-1-ylurea
CID 54904343
N,N'-dinaphthalen-1-ylethane-1,2-diamine;dihydrochloride
CID 69046784
2-(methylamino)-3-(naphthalen-1-ylamino)propanoic acid
CID 115255971
N-(1-cyanoethyl)naphthalene-1-sulfonamide
CID 115766500
3-(2,5-dibromoanilino)-2-methylpropanenitrile
CID 61466960
N-[1-iodo-2-(naphthalen-1-ylamino)ethyl]acetamide
CID 168801099
N-(2-phenoxybutyl)naphthalen-1-amine
CID 46736265

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(naphthalen-1-ylamino)propanenitrile?
The IUPAC name of 2-methyl-3-(naphthalen-1-ylamino)propanenitrile (CID 43245410) is 2-methyl-3-(naphthalen-1-ylamino)propanenitrile.
What is the SMILES notation for 2-methyl-3-(naphthalen-1-ylamino)propanenitrile?
The canonical SMILES for 2-methyl-3-(naphthalen-1-ylamino)propanenitrile is CC(C#N)CNc1cccc2ccccc12.
What is the InChIKey of 2-methyl-3-(naphthalen-1-ylamino)propanenitrile?
The InChIKey is KIZUWIJSUOGVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-11(9-15)10-16-14-8-4-6-12-5-2-3-7-13(12)14/h2-8,11,16H,10H2,1H3.
What are the key properties of 2-methyl-3-(naphthalen-1-ylamino)propanenitrile?
2-methyl-3-(naphthalen-1-ylamino)propanenitrile has a molecular weight of 210.28 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(naphthalen-1-ylamino)propanenitrile is sourced from PubChem (CID 43245410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).