6-(3,4-diethylphenyl)-N-propan-2-ylhexan-1-amine

C19H33N — CID 115483370

IUPAC6-(3,4-diethylphenyl)-N-propan-2-ylhexan-1-amine
SMILESCCc1ccc(CCCCCCNC(C)C)cc1CC
InChIInChI=1S/C19H33N/c1-5-18-13-12-17(15-19(18)6-2)11-9-7-8-10-14-20-16(3)4/h12-13,15-16,20H,5-11,14H2,1-4H3
InChIKeyVNSJGSSMPPDNSU-UHFFFAOYSA-N
MW275.48 g/mol
LogP4.91
Rot. Bonds10

About 6-(3,4-diethylphenyl)-N-propan-2-ylhexan-1-amine

6-(3,4-diethylphenyl)-N-propan-2-ylhexan-1-amine (PubChem CID 115483370) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 6-(3,4-diethylphenyl)-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name6-(3,4-diethylphenyl)-N-propan-2-ylhexan-1-amine
PubChem CID115483370
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name6-(3,4-diethylphenyl)-N-propan-2-ylhexan-1-amine
SMILESCCc1ccc(CCCCCCNC(C)C)cc1CC
InChIInChI=1S/C19H33N/c1-5-18-13-12-17(15-19(18)6-2)11-9-7-8-10-14-20-16(3)4/h12-13,15-16,20H,5-11,14H2,1-4H3
InChIKeyVNSJGSSMPPDNSU-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.48
LogP ≤ 54.91
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 6-(3,4-diethylphenyl)-N-propan-2-ylhexan-1-amine?
The IUPAC name of 6-(3,4-diethylphenyl)-N-propan-2-ylhexan-1-amine (CID 115483370) is 6-(3,4-diethylphenyl)-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for 6-(3,4-diethylphenyl)-N-propan-2-ylhexan-1-amine?
The canonical SMILES for 6-(3,4-diethylphenyl)-N-propan-2-ylhexan-1-amine is CCc1ccc(CCCCCCNC(C)C)cc1CC.
What is the InChIKey of 6-(3,4-diethylphenyl)-N-propan-2-ylhexan-1-amine?
The InChIKey is VNSJGSSMPPDNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-5-18-13-12-17(15-19(18)6-2)11-9-7-8-10-14-20-16(3)4/h12-13,15-16,20H,5-11,14H2,1-4H3.
What are the key properties of 6-(3,4-diethylphenyl)-N-propan-2-ylhexan-1-amine?
6-(3,4-diethylphenyl)-N-propan-2-ylhexan-1-amine has a molecular weight of 275.48 g/mol, XLogP of 4.91, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-diethylphenyl)-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 115483370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).