N-ethyl-3,3-dimethyl-5-(4-methylnaphthalen-1-yl)pentan-1-amine

C20H29N — CID 65304338

IUPACN-ethyl-3,3-dimethyl-5-(4-methylnaphthalen-1-yl)pentan-1-amine
SMILESCCNCCC(C)(C)CCc1ccc(C)c2ccccc12
InChIInChI=1S/C20H29N/c1-5-21-15-14-20(3,4)13-12-17-11-10-16(2)18-8-6-7-9-19(17)18/h6-11,21H,5,12-15H2,1-4H3
InChIKeyQZGSUSJJZZIXAI-UHFFFAOYSA-N
MW283.46 g/mol
LogP5.11
Rot. Bonds7

About N-ethyl-3,3-dimethyl-5-(4-methylnaphthalen-1-yl)pentan-1-amine

N-ethyl-3,3-dimethyl-5-(4-methylnaphthalen-1-yl)pentan-1-amine (PubChem CID 65304338) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is N-ethyl-3,3-dimethyl-5-(4-methylnaphthalen-1-yl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,3-dimethyl-5-(4-methylnaphthalen-1-yl)pentan-1-amine
PubChem CID65304338
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC NameN-ethyl-3,3-dimethyl-5-(4-methylnaphthalen-1-yl)pentan-1-amine
SMILESCCNCCC(C)(C)CCc1ccc(C)c2ccccc12
InChIInChI=1S/C20H29N/c1-5-21-15-14-20(3,4)13-12-17-11-10-16(2)18-8-6-7-9-19(17)18/h6-11,21H,5,12-15H2,1-4H3
InChIKeyQZGSUSJJZZIXAI-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.46
LogP ≤ 55.11
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-ethyl-3,3-dimethyl-5-(4-methylnaphthalen-1-yl)pentan-1-amine?
The IUPAC name of N-ethyl-3,3-dimethyl-5-(4-methylnaphthalen-1-yl)pentan-1-amine (CID 65304338) is N-ethyl-3,3-dimethyl-5-(4-methylnaphthalen-1-yl)pentan-1-amine.
What is the SMILES notation for N-ethyl-3,3-dimethyl-5-(4-methylnaphthalen-1-yl)pentan-1-amine?
The canonical SMILES for N-ethyl-3,3-dimethyl-5-(4-methylnaphthalen-1-yl)pentan-1-amine is CCNCCC(C)(C)CCc1ccc(C)c2ccccc12.
What is the InChIKey of N-ethyl-3,3-dimethyl-5-(4-methylnaphthalen-1-yl)pentan-1-amine?
The InChIKey is QZGSUSJJZZIXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N/c1-5-21-15-14-20(3,4)13-12-17-11-10-16(2)18-8-6-7-9-19(17)18/h6-11,21H,5,12-15H2,1-4H3.
What are the key properties of N-ethyl-3,3-dimethyl-5-(4-methylnaphthalen-1-yl)pentan-1-amine?
N-ethyl-3,3-dimethyl-5-(4-methylnaphthalen-1-yl)pentan-1-amine has a molecular weight of 283.46 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-dimethyl-5-(4-methylnaphthalen-1-yl)pentan-1-amine is sourced from PubChem (CID 65304338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).