N-[(1R)-1-(3-ethenylphenyl)ethyl]nonan-1-amine

C19H31N — CID 150497042

IUPACN-[(1R)-1-(3-ethenylphenyl)ethyl]nonan-1-amine
SMILESC=Cc1cccc([C@@H](C)NCCCCCCCCC)c1
InChIInChI=1S/C19H31N/c1-4-6-7-8-9-10-11-15-20-17(3)19-14-12-13-18(5-2)16-19/h5,12-14,16-17,20H,2,4,6-11,15H2,1,3H3/t17-/m1/s1
InChIKeyHWZZUOXGRVVGCI-QGZVFWFLSA-N
MW273.46 g/mol
LogP5.73
Rot. Bonds11

About N-[(1R)-1-(3-ethenylphenyl)ethyl]nonan-1-amine

N-[(1R)-1-(3-ethenylphenyl)ethyl]nonan-1-amine (PubChem CID 150497042) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-[(1R)-1-(3-ethenylphenyl)ethyl]nonan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-ethenylphenyl)ethyl]nonan-1-amine
PubChem CID150497042
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-[(1R)-1-(3-ethenylphenyl)ethyl]nonan-1-amine
SMILESC=Cc1cccc([C@@H](C)NCCCCCCCCC)c1
InChIInChI=1S/C19H31N/c1-4-6-7-8-9-10-11-15-20-17(3)19-14-12-13-18(5-2)16-19/h5,12-14,16-17,20H,2,4,6-11,15H2,1,3H3/t17-/m1/s1
InChIKeyHWZZUOXGRVVGCI-QGZVFWFLSA-N
XLogP5.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-ethenylphenyl)ethyl]nonan-1-amine?
The IUPAC name of N-[(1R)-1-(3-ethenylphenyl)ethyl]nonan-1-amine (CID 150497042) is N-[(1R)-1-(3-ethenylphenyl)ethyl]nonan-1-amine.
What is the SMILES notation for N-[(1R)-1-(3-ethenylphenyl)ethyl]nonan-1-amine?
The canonical SMILES for N-[(1R)-1-(3-ethenylphenyl)ethyl]nonan-1-amine is C=Cc1cccc([C@@H](C)NCCCCCCCCC)c1.
What is the InChIKey of N-[(1R)-1-(3-ethenylphenyl)ethyl]nonan-1-amine?
The InChIKey is HWZZUOXGRVVGCI-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H31N/c1-4-6-7-8-9-10-11-15-20-17(3)19-14-12-13-18(5-2)16-19/h5,12-14,16-17,20H,2,4,6-11,15H2,1,3H3/t17-/m1/s1.
What are the key properties of N-[(1R)-1-(3-ethenylphenyl)ethyl]nonan-1-amine?
N-[(1R)-1-(3-ethenylphenyl)ethyl]nonan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 5.73, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-ethenylphenyl)ethyl]nonan-1-amine is sourced from PubChem (CID 150497042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).