1-(butan-2-ylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile

C15H20N2 — CID 54908045

IUPAC1-(butan-2-ylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile
SMILESCCC(C)NC1(C#N)CCCc2ccccc21
InChIInChI=1S/C15H20N2/c1-3-12(2)17-15(11-16)10-6-8-13-7-4-5-9-14(13)15/h4-5,7,9,12,17H,3,6,8,10H2,1-2H3
InChIKeyZIKORMVOALIJEG-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.13
Rot. Bonds3

About 1-(butan-2-ylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile

1-(butan-2-ylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile (PubChem CID 54908045) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(butan-2-ylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile.

Molecular Properties

Compound Name1-(butan-2-ylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile
PubChem CID54908045
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name1-(butan-2-ylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile
SMILESCCC(C)NC1(C#N)CCCc2ccccc21
InChIInChI=1S/C15H20N2/c1-3-12(2)17-15(11-16)10-6-8-13-7-4-5-9-14(13)15/h4-5,7,9,12,17H,3,6,8,10H2,1-2H3
InChIKeyZIKORMVOALIJEG-UHFFFAOYSA-N
XLogP3.13
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(butan-2-ylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The IUPAC name of 1-(butan-2-ylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile (CID 54908045) is 1-(butan-2-ylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile.
What is the SMILES notation for 1-(butan-2-ylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The canonical SMILES for 1-(butan-2-ylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile is CCC(C)NC1(C#N)CCCc2ccccc21.
What is the InChIKey of 1-(butan-2-ylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The InChIKey is ZIKORMVOALIJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-3-12(2)17-15(11-16)10-6-8-13-7-4-5-9-14(13)15/h4-5,7,9,12,17H,3,6,8,10H2,1-2H3.
What are the key properties of 1-(butan-2-ylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile?
1-(butan-2-ylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile has a molecular weight of 228.34 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butan-2-ylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile is sourced from PubChem (CID 54908045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).