4-ethyl-3,4,5-trimethyl-1-naphthalen-2-ylhex-5-en-2-amine

C21H29N — CID 142223798

IUPAC4-ethyl-3,4,5-trimethyl-1-naphthalen-2-ylhex-5-en-2-amine
SMILESC=C(C)C(C)(CC)C(C)C(N)Cc1ccc2ccccc2c1
InChIInChI=1S/C21H29N/c1-6-21(5,15(2)3)16(4)20(22)14-17-11-12-18-9-7-8-10-19(18)13-17/h7-13,16,20H,2,6,14,22H2,1,3-5H3
InChIKeyLXAXYQRKGIWVPB-UHFFFAOYSA-N
MW295.47 g/mol
LogP5.34
Rot. Bonds6

About 4-ethyl-3,4,5-trimethyl-1-naphthalen-2-ylhex-5-en-2-amine

4-ethyl-3,4,5-trimethyl-1-naphthalen-2-ylhex-5-en-2-amine (PubChem CID 142223798) has the molecular formula C21H29N and a molecular weight of 295.47 g/mol. Its IUPAC name is 4-ethyl-3,4,5-trimethyl-1-naphthalen-2-ylhex-5-en-2-amine.

Molecular Properties

Compound Name4-ethyl-3,4,5-trimethyl-1-naphthalen-2-ylhex-5-en-2-amine
PubChem CID142223798
Molecular FormulaC21H29N
Molecular Weight295.47 g/mol
Exact Mass295.23
IUPAC Name4-ethyl-3,4,5-trimethyl-1-naphthalen-2-ylhex-5-en-2-amine
SMILESC=C(C)C(C)(CC)C(C)C(N)Cc1ccc2ccccc2c1
InChIInChI=1S/C21H29N/c1-6-21(5,15(2)3)16(4)20(22)14-17-11-12-18-9-7-8-10-19(18)13-17/h7-13,16,20H,2,6,14,22H2,1,3-5H3
InChIKeyLXAXYQRKGIWVPB-UHFFFAOYSA-N
XLogP5.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.47
LogP ≤ 55.34
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 4-ethyl-3,4,5-trimethyl-1-naphthalen-2-ylhex-5-en-2-amine?
The IUPAC name of 4-ethyl-3,4,5-trimethyl-1-naphthalen-2-ylhex-5-en-2-amine (CID 142223798) is 4-ethyl-3,4,5-trimethyl-1-naphthalen-2-ylhex-5-en-2-amine.
What is the SMILES notation for 4-ethyl-3,4,5-trimethyl-1-naphthalen-2-ylhex-5-en-2-amine?
The canonical SMILES for 4-ethyl-3,4,5-trimethyl-1-naphthalen-2-ylhex-5-en-2-amine is C=C(C)C(C)(CC)C(C)C(N)Cc1ccc2ccccc2c1.
What is the InChIKey of 4-ethyl-3,4,5-trimethyl-1-naphthalen-2-ylhex-5-en-2-amine?
The InChIKey is LXAXYQRKGIWVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N/c1-6-21(5,15(2)3)16(4)20(22)14-17-11-12-18-9-7-8-10-19(18)13-17/h7-13,16,20H,2,6,14,22H2,1,3-5H3.
What are the key properties of 4-ethyl-3,4,5-trimethyl-1-naphthalen-2-ylhex-5-en-2-amine?
4-ethyl-3,4,5-trimethyl-1-naphthalen-2-ylhex-5-en-2-amine has a molecular weight of 295.47 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,4,5-trimethyl-1-naphthalen-2-ylhex-5-en-2-amine is sourced from PubChem (CID 142223798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).