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

C16H22N2 — CID 113305950

IUPAC1-(butan-2-ylamino)-4-methyl-3,4-dihydro-2H-naphthalene-1-carbonitrile
SMILESCCC(C)NC1(C#N)CCC(C)c2ccccc21
InChIInChI=1S/C16H22N2/c1-4-13(3)18-16(11-17)10-9-12(2)14-7-5-6-8-15(14)16/h5-8,12-13,18H,4,9-10H2,1-3H3
InChIKeyPWZAMSIJJXZMSN-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.69
Rot. Bonds3

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

1-(butan-2-ylamino)-4-methyl-3,4-dihydro-2H-naphthalene-1-carbonitrile (PubChem CID 113305950) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-(butan-2-ylamino)-4-methyl-3,4-dihydro-2H-naphthalene-1-carbonitrile.

Molecular Properties

Compound Name1-(butan-2-ylamino)-4-methyl-3,4-dihydro-2H-naphthalene-1-carbonitrile
PubChem CID113305950
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1-(butan-2-ylamino)-4-methyl-3,4-dihydro-2H-naphthalene-1-carbonitrile
SMILESCCC(C)NC1(C#N)CCC(C)c2ccccc21
InChIInChI=1S/C16H22N2/c1-4-13(3)18-16(11-17)10-9-12(2)14-7-5-6-8-15(14)16/h5-8,12-13,18H,4,9-10H2,1-3H3
InChIKeyPWZAMSIJJXZMSN-UHFFFAOYSA-N
XLogP3.69
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(butan-2-ylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 54908045
1-[1-(ethylamino)ethyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419705
(1R,4R)-4-ethyl-1,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 97103179
1-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)cyclobutane-1-carbonitrile
CID 115420917
1-(butan-2-ylamino)-2-methylcyclobutane-1-carbonitrile
CID 130554667
1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419502
[4-methyl-1-(2-methylpropylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol
CID 113306069
4-methyl-1-pentyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419566
N-[2-(1-methylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)-2-oxoethyl]acetamide
CID 134075741
1'-butan-2-yl-1-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-4H-imidazole]-2'-amine
CID 115420955
2-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
CID 115420224
1-(butan-2-ylamino)-2-methylcyclohexane-1-carbonitrile
CID 61023996

Frequently Asked Questions

What is the IUPAC name of 1-(butan-2-ylamino)-4-methyl-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The IUPAC name of 1-(butan-2-ylamino)-4-methyl-3,4-dihydro-2H-naphthalene-1-carbonitrile (CID 113305950) is 1-(butan-2-ylamino)-4-methyl-3,4-dihydro-2H-naphthalene-1-carbonitrile.
What is the SMILES notation for 1-(butan-2-ylamino)-4-methyl-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The canonical SMILES for 1-(butan-2-ylamino)-4-methyl-3,4-dihydro-2H-naphthalene-1-carbonitrile is CCC(C)NC1(C#N)CCC(C)c2ccccc21.
What is the InChIKey of 1-(butan-2-ylamino)-4-methyl-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The InChIKey is PWZAMSIJJXZMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-4-13(3)18-16(11-17)10-9-12(2)14-7-5-6-8-15(14)16/h5-8,12-13,18H,4,9-10H2,1-3H3.
What are the key properties of 1-(butan-2-ylamino)-4-methyl-3,4-dihydro-2H-naphthalene-1-carbonitrile?
1-(butan-2-ylamino)-4-methyl-3,4-dihydro-2H-naphthalene-1-carbonitrile has a molecular weight of 242.37 g/mol, XLogP of 3.69, 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)-4-methyl-3,4-dihydro-2H-naphthalene-1-carbonitrile is sourced from PubChem (CID 113305950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).