N-but-3-en-2-yl-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine

C16H23N — CID 113480827

IUPACN-but-3-en-2-yl-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
SMILESC=CC(C)NC1c2ccccc2CCC1(C)C
InChIInChI=1S/C16H23N/c1-5-12(2)17-15-14-9-7-6-8-13(14)10-11-16(15,3)4/h5-9,12,15,17H,1,10-11H2,2-4H3
InChIKeyQWTMRPOYNUMAQN-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.86
Rot. Bonds3

About N-but-3-en-2-yl-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine

N-but-3-en-2-yl-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine (PubChem CID 113480827) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-but-3-en-2-yl-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine.

Molecular Properties

Compound NameN-but-3-en-2-yl-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
PubChem CID113480827
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-but-3-en-2-yl-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
SMILESC=CC(C)NC1c2ccccc2CCC1(C)C
InChIInChI=1S/C16H23N/c1-5-12(2)17-15-14-9-7-6-8-13(14)10-11-16(15,3)4/h5-9,12,15,17H,1,10-11H2,2-4H3
InChIKeyQWTMRPOYNUMAQN-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine?
The IUPAC name of N-but-3-en-2-yl-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine (CID 113480827) is N-but-3-en-2-yl-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine.
What is the SMILES notation for N-but-3-en-2-yl-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine?
The canonical SMILES for N-but-3-en-2-yl-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine is C=CC(C)NC1c2ccccc2CCC1(C)C.
What is the InChIKey of N-but-3-en-2-yl-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine?
The InChIKey is QWTMRPOYNUMAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-5-12(2)17-15-14-9-7-6-8-13(14)10-11-16(15,3)4/h5-9,12,15,17H,1,10-11H2,2-4H3.
What are the key properties of N-but-3-en-2-yl-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine?
N-but-3-en-2-yl-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine has a molecular weight of 229.37 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine is sourced from PubChem (CID 113480827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).