2-methyl-2-(naphthalen-1-ylmethyl)but-3-en-1-amine

C16H19N — CID 102640302

IUPAC2-methyl-2-(naphthalen-1-ylmethyl)but-3-en-1-amine
SMILESC=CC(C)(CN)Cc1cccc2ccccc12
InChIInChI=1S/C16H19N/c1-3-16(2,12-17)11-14-9-6-8-13-7-4-5-10-15(13)14/h3-10H,1,11-12,17H2,2H3
InChIKeyRTASEKSFYYUVAE-UHFFFAOYSA-N
MW225.34 g/mol
LogP3.53
Rot. Bonds4

About 2-methyl-2-(naphthalen-1-ylmethyl)but-3-en-1-amine

2-methyl-2-(naphthalen-1-ylmethyl)but-3-en-1-amine (PubChem CID 102640302) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-methyl-2-(naphthalen-1-ylmethyl)but-3-en-1-amine.

Molecular Properties

Compound Name2-methyl-2-(naphthalen-1-ylmethyl)but-3-en-1-amine
PubChem CID102640302
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name2-methyl-2-(naphthalen-1-ylmethyl)but-3-en-1-amine
SMILESC=CC(C)(CN)Cc1cccc2ccccc12
InChIInChI=1S/C16H19N/c1-3-16(2,12-17)11-14-9-6-8-13-7-4-5-10-15(13)14/h3-10H,1,11-12,17H2,2H3
InChIKeyRTASEKSFYYUVAE-UHFFFAOYSA-N
XLogP3.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chloro-3-fluorophenyl)methyl]-2-methylbut-3-en-1-amine
CID 102640347
1-(2,2-dimethylpropyl)naphthalene;methane
CID 145304916
2-N,2-N-diethyl-2-methyl-3-naphthalen-1-ylpropane-1,2-diamine
CID 84746535
1-(2-methyl-2-phenylpropyl)naphthalene
CID 86035126
2-methylpropan-2-amine;naphthalen-1-ylmethanamine
CID 142317452
1-(2-fluoro-2-methylpropyl)naphthalene
CID 118859745
2-methyl-5-naphthalen-1-ylpentan-2-amine
CID 116925299
2,2-dimethyl-3-naphthalen-1-ylpropanamide
CID 90911277
2-fluoro-3-naphthalen-1-yl-2-phenylpropan-1-amine
CID 115918085
4-[2-(aminomethyl)-2-methylbut-3-enyl]phenol
CID 102640315
2-amino-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propan-1-ol
CID 25214823
1-bromo-2-[2-(bromomethyl)-2-methylbut-3-enyl]benzene
CID 102642227

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(naphthalen-1-ylmethyl)but-3-en-1-amine?
The IUPAC name of 2-methyl-2-(naphthalen-1-ylmethyl)but-3-en-1-amine (CID 102640302) is 2-methyl-2-(naphthalen-1-ylmethyl)but-3-en-1-amine.
What is the SMILES notation for 2-methyl-2-(naphthalen-1-ylmethyl)but-3-en-1-amine?
The canonical SMILES for 2-methyl-2-(naphthalen-1-ylmethyl)but-3-en-1-amine is C=CC(C)(CN)Cc1cccc2ccccc12.
What is the InChIKey of 2-methyl-2-(naphthalen-1-ylmethyl)but-3-en-1-amine?
The InChIKey is RTASEKSFYYUVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-3-16(2,12-17)11-14-9-6-8-13-7-4-5-10-15(13)14/h3-10H,1,11-12,17H2,2H3.
What are the key properties of 2-methyl-2-(naphthalen-1-ylmethyl)but-3-en-1-amine?
2-methyl-2-(naphthalen-1-ylmethyl)but-3-en-1-amine has a molecular weight of 225.34 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(naphthalen-1-ylmethyl)but-3-en-1-amine is sourced from PubChem (CID 102640302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).