(E)-3-methyl-4-naphthalen-2-ylbut-3-en-2-amine

C15H17N — CID 103091933

IUPAC(E)-3-methyl-4-naphthalen-2-ylbut-3-en-2-amine
SMILESC/C(=C\c1ccc2ccccc2c1)C(C)N
InChIInChI=1S/C15H17N/c1-11(12(2)16)9-13-7-8-14-5-3-4-6-15(14)10-13/h3-10,12H,16H2,1-2H3/b11-9+
InChIKeyBENADQHVPLDEJE-PKNBQFBNSA-N
MW211.31 g/mol
LogP3.59
Rot. Bonds2

About (E)-3-methyl-4-naphthalen-2-ylbut-3-en-2-amine

(E)-3-methyl-4-naphthalen-2-ylbut-3-en-2-amine (PubChem CID 103091933) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is (E)-3-methyl-4-naphthalen-2-ylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-3-methyl-4-naphthalen-2-ylbut-3-en-2-amine
PubChem CID103091933
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name(E)-3-methyl-4-naphthalen-2-ylbut-3-en-2-amine
SMILESC/C(=C\c1ccc2ccccc2c1)C(C)N
InChIInChI=1S/C15H17N/c1-11(12(2)16)9-13-7-8-14-5-3-4-6-15(14)10-13/h3-10,12H,16H2,1-2H3/b11-9+
InChIKeyBENADQHVPLDEJE-PKNBQFBNSA-N
XLogP3.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-1-naphthalen-2-ylprop-1-en-2-amine
CID 20741960
trimethyl-(2-naphthalen-2-yl-1-trimethylsilylethenyl)silane
CID 101475469
2-[(E)-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene
CID 20801533
3-methyl-2-(naphthalen-2-ylmethylidene)-N-propan-2-ylbutan-1-amine
CID 79339001
2-naphthalen-2-ylethenol
CID 67195423
methyl (E,2S)-2-methyl-4-naphthalen-2-ylbut-3-enoate
CID 164682787
2-(2-bromo-2-fluoroethenyl)naphthalene
CID 71421108
2-(1,2-dinaphthalen-2-ylethenyl)naphthalene
CID 171662067
(Z)-2-fluoro-3-naphthalen-2-yl-1-phenylprop-2-en-1-ol
CID 11482836
2-(2,2-diphenylethenyl)-6-[2-[6-(2-naphthalen-2-ylethenyl)naphthalen-2-yl]ethenyl]naphthalene
CID 72565680
2-[(E)-4-methylpent-1-enyl]naphthalene
CID 15318830
(2R)-2-amino-1-naphthalen-2-ylpropan-1-one
CID 67852700

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-4-naphthalen-2-ylbut-3-en-2-amine?
The IUPAC name of (E)-3-methyl-4-naphthalen-2-ylbut-3-en-2-amine (CID 103091933) is (E)-3-methyl-4-naphthalen-2-ylbut-3-en-2-amine.
What is the SMILES notation for (E)-3-methyl-4-naphthalen-2-ylbut-3-en-2-amine?
The canonical SMILES for (E)-3-methyl-4-naphthalen-2-ylbut-3-en-2-amine is C/C(=C\c1ccc2ccccc2c1)C(C)N.
What is the InChIKey of (E)-3-methyl-4-naphthalen-2-ylbut-3-en-2-amine?
The InChIKey is BENADQHVPLDEJE-PKNBQFBNSA-N. The full InChI is InChI=1S/C15H17N/c1-11(12(2)16)9-13-7-8-14-5-3-4-6-15(14)10-13/h3-10,12H,16H2,1-2H3/b11-9+.
What are the key properties of (E)-3-methyl-4-naphthalen-2-ylbut-3-en-2-amine?
(E)-3-methyl-4-naphthalen-2-ylbut-3-en-2-amine has a molecular weight of 211.31 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-4-naphthalen-2-ylbut-3-en-2-amine is sourced from PubChem (CID 103091933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).