2-amino-7-butyl-4-methyl-3-prop-1-en-2-yl-1H-naphthalene-2-carbonitrile

C19H24N2 — CID 139470175

IUPAC2-amino-7-butyl-4-methyl-3-prop-1-en-2-yl-1H-naphthalene-2-carbonitrile
SMILESC=C(C)C1=C(C)c2ccc(CCCC)cc2CC1(N)C#N
InChIInChI=1S/C19H24N2/c1-5-6-7-15-8-9-17-14(4)18(13(2)3)19(21,12-20)11-16(17)10-15/h8-10H,2,5-7,11,21H2,1,3-4H3
InChIKeySEXPDZBXBAIDJU-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.16
Rot. Bonds4

About 2-amino-7-butyl-4-methyl-3-prop-1-en-2-yl-1H-naphthalene-2-carbonitrile

2-amino-7-butyl-4-methyl-3-prop-1-en-2-yl-1H-naphthalene-2-carbonitrile (PubChem CID 139470175) has the molecular formula C19H24N2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-amino-7-butyl-4-methyl-3-prop-1-en-2-yl-1H-naphthalene-2-carbonitrile.

Molecular Properties

Compound Name2-amino-7-butyl-4-methyl-3-prop-1-en-2-yl-1H-naphthalene-2-carbonitrile
PubChem CID139470175
Molecular FormulaC19H24N2
Molecular Weight280.41 g/mol
Exact Mass280.19
IUPAC Name2-amino-7-butyl-4-methyl-3-prop-1-en-2-yl-1H-naphthalene-2-carbonitrile
SMILESC=C(C)C1=C(C)c2ccc(CCCC)cc2CC1(N)C#N
InChIInChI=1S/C19H24N2/c1-5-6-7-15-8-9-17-14(4)18(13(2)3)19(21,12-20)11-16(17)10-15/h8-10H,2,5-7,11,21H2,1,3-4H3
InChIKeySEXPDZBXBAIDJU-UHFFFAOYSA-N
XLogP4.16
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-4-[4-[2-(4-prop-1-en-2-ylphenyl)ethyl]phenyl]benzene
CID 58428364
2,7,9-tripentylfluoren-9-ol
CID 175293843
4-(7-butyl-3-fluoro-9H-fluoren-2-yl)benzonitrile
CID 22044840
2-(6-butyl-3-oxoinden-1-ylidene)propanedinitrile
CID 134411867
6-butylspiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-1-one
CID 67993381
5-butyl-1,3-dihydroindol-2-one
CID 10219749
5-butyl-9-[4-(4-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
CID 58674062
5-butyl-2,3-dihydro-1H-indol-2-ol
CID 141157926
1-(7-butyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)ethanone
CID 23117359
2-[2-(4-chloro-3-fluorophenyl)ethynyl]-7-heptyl-9,10-dihydrophenanthrene
CID 139883969
2-butyl-7-[4-(trifluoromethyl)phenyl]-9H-fluorene
CID 139883468
1-(7-nonyl-9H-fluoren-2-yl)ethanone
CID 12721144

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-butyl-4-methyl-3-prop-1-en-2-yl-1H-naphthalene-2-carbonitrile?
The IUPAC name of 2-amino-7-butyl-4-methyl-3-prop-1-en-2-yl-1H-naphthalene-2-carbonitrile (CID 139470175) is 2-amino-7-butyl-4-methyl-3-prop-1-en-2-yl-1H-naphthalene-2-carbonitrile.
What is the SMILES notation for 2-amino-7-butyl-4-methyl-3-prop-1-en-2-yl-1H-naphthalene-2-carbonitrile?
The canonical SMILES for 2-amino-7-butyl-4-methyl-3-prop-1-en-2-yl-1H-naphthalene-2-carbonitrile is C=C(C)C1=C(C)c2ccc(CCCC)cc2CC1(N)C#N.
What is the InChIKey of 2-amino-7-butyl-4-methyl-3-prop-1-en-2-yl-1H-naphthalene-2-carbonitrile?
The InChIKey is SEXPDZBXBAIDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-5-6-7-15-8-9-17-14(4)18(13(2)3)19(21,12-20)11-16(17)10-15/h8-10H,2,5-7,11,21H2,1,3-4H3.
What are the key properties of 2-amino-7-butyl-4-methyl-3-prop-1-en-2-yl-1H-naphthalene-2-carbonitrile?
2-amino-7-butyl-4-methyl-3-prop-1-en-2-yl-1H-naphthalene-2-carbonitrile has a molecular weight of 280.41 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-butyl-4-methyl-3-prop-1-en-2-yl-1H-naphthalene-2-carbonitrile is sourced from PubChem (CID 139470175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).