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

C20H33N — CID 151487959

IUPACN-[(1R)-1-(3-ethenylphenyl)ethyl]decan-1-amine
SMILESC=Cc1cccc([C@@H](C)NCCCCCCCCCC)c1
InChIInChI=1S/C20H33N/c1-4-6-7-8-9-10-11-12-16-21-18(3)20-15-13-14-19(5-2)17-20/h5,13-15,17-18,21H,2,4,6-12,16H2,1,3H3/t18-/m1/s1
InChIKeyPNVZXVXLGRLTSQ-GOSISDBHSA-N
MW287.49 g/mol
LogP6.12
Rot. Bonds12

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

N-[(1R)-1-(3-ethenylphenyl)ethyl]decan-1-amine (PubChem CID 151487959) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-[(1R)-1-(3-ethenylphenyl)ethyl]decan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-ethenylphenyl)ethyl]decan-1-amine
PubChem CID151487959
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-[(1R)-1-(3-ethenylphenyl)ethyl]decan-1-amine
SMILESC=Cc1cccc([C@@H](C)NCCCCCCCCCC)c1
InChIInChI=1S/C20H33N/c1-4-6-7-8-9-10-11-12-16-21-18(3)20-15-13-14-19(5-2)17-20/h5,13-15,17-18,21H,2,4,6-12,16H2,1,3H3/t18-/m1/s1
InChIKeyPNVZXVXLGRLTSQ-GOSISDBHSA-N
XLogP6.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 56.12
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]decan-1-amine?
The IUPAC name of N-[(1R)-1-(3-ethenylphenyl)ethyl]decan-1-amine (CID 151487959) is N-[(1R)-1-(3-ethenylphenyl)ethyl]decan-1-amine.
What is the SMILES notation for N-[(1R)-1-(3-ethenylphenyl)ethyl]decan-1-amine?
The canonical SMILES for N-[(1R)-1-(3-ethenylphenyl)ethyl]decan-1-amine is C=Cc1cccc([C@@H](C)NCCCCCCCCCC)c1.
What is the InChIKey of N-[(1R)-1-(3-ethenylphenyl)ethyl]decan-1-amine?
The InChIKey is PNVZXVXLGRLTSQ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H33N/c1-4-6-7-8-9-10-11-12-16-21-18(3)20-15-13-14-19(5-2)17-20/h5,13-15,17-18,21H,2,4,6-12,16H2,1,3H3/t18-/m1/s1.
What are the key properties of N-[(1R)-1-(3-ethenylphenyl)ethyl]decan-1-amine?
N-[(1R)-1-(3-ethenylphenyl)ethyl]decan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 6.12, 12 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]decan-1-amine is sourced from PubChem (CID 151487959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).