3,3-dimethyl-N-propyl-5-(2,4,6-trichlorophenyl)pentan-1-amine

C16H24Cl3N — CID 105350355

IUPAC3,3-dimethyl-N-propyl-5-(2,4,6-trichlorophenyl)pentan-1-amine
SMILESCCCNCCC(C)(C)CCc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C16H24Cl3N/c1-4-8-20-9-7-16(2,3)6-5-13-14(18)10-12(17)11-15(13)19/h10-11,20H,4-9H2,1-3H3
InChIKeyNPCOYVDOOGSDGG-UHFFFAOYSA-N
MW336.73 g/mol
LogP6.00
Rot. Bonds8

About 3,3-dimethyl-N-propyl-5-(2,4,6-trichlorophenyl)pentan-1-amine

3,3-dimethyl-N-propyl-5-(2,4,6-trichlorophenyl)pentan-1-amine (PubChem CID 105350355) has the molecular formula C16H24Cl3N and a molecular weight of 336.73 g/mol. Its IUPAC name is 3,3-dimethyl-N-propyl-5-(2,4,6-trichlorophenyl)pentan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-propyl-5-(2,4,6-trichlorophenyl)pentan-1-amine
PubChem CID105350355
Molecular FormulaC16H24Cl3N
Molecular Weight336.73 g/mol
Exact Mass335.10
IUPAC Name3,3-dimethyl-N-propyl-5-(2,4,6-trichlorophenyl)pentan-1-amine
SMILESCCCNCCC(C)(C)CCc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C16H24Cl3N/c1-4-8-20-9-7-16(2,3)6-5-13-14(18)10-12(17)11-15(13)19/h10-11,20H,4-9H2,1-3H3
InChIKeyNPCOYVDOOGSDGG-UHFFFAOYSA-N
XLogP6.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.73
LogP ≤ 56.00
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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Related Compounds

3-methyl-N-propyl-3-(2,4,6-trichlorophenyl)butan-1-amine
CID 105350472
5-(5-bromo-4-methylthiophen-2-yl)-3,3-dimethyl-N-propylpentan-1-amine
CID 79990855
5-(4-fluoro-3,5-dimethylphenyl)-3,3-dimethyl-N-propylpentan-1-amine
CID 65308821
5-(5-bromo-4-chlorothiophen-2-yl)-N-ethyl-3,3-dimethylpentan-1-amine
CID 80532626
3,3-dimethyl-N-propyl-5-thiophen-3-ylpentan-1-amine
CID 81022227
5-(1,3-dihydro-2-benzofuran-5-yl)-3,3-dimethyl-N-propylpentan-1-amine
CID 65304136
3,3-dimethyl-N-propyldodecan-1-amine
CID 81022998
3-(2,5-dichlorothiophen-3-yl)-3-methyl-N-propylbutan-1-amine
CID 79830855
3-(4-chloro-2-fluorophenyl)-3-methyl-N-propylbutan-1-amine
CID 81023002
N'-(3,4-dichlorophenyl)-N-propylethane-1,2-diamine
CID 54805609
N-methyl-4-(2,4,6-trichlorophenyl)butan-1-amine
CID 105350377
4-(3-bromo-4-fluorophenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 81022999

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-propyl-5-(2,4,6-trichlorophenyl)pentan-1-amine?
The IUPAC name of 3,3-dimethyl-N-propyl-5-(2,4,6-trichlorophenyl)pentan-1-amine (CID 105350355) is 3,3-dimethyl-N-propyl-5-(2,4,6-trichlorophenyl)pentan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-propyl-5-(2,4,6-trichlorophenyl)pentan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-propyl-5-(2,4,6-trichlorophenyl)pentan-1-amine is CCCNCCC(C)(C)CCc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 3,3-dimethyl-N-propyl-5-(2,4,6-trichlorophenyl)pentan-1-amine?
The InChIKey is NPCOYVDOOGSDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl3N/c1-4-8-20-9-7-16(2,3)6-5-13-14(18)10-12(17)11-15(13)19/h10-11,20H,4-9H2,1-3H3.
What are the key properties of 3,3-dimethyl-N-propyl-5-(2,4,6-trichlorophenyl)pentan-1-amine?
3,3-dimethyl-N-propyl-5-(2,4,6-trichlorophenyl)pentan-1-amine has a molecular weight of 336.73 g/mol, XLogP of 6.00, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-propyl-5-(2,4,6-trichlorophenyl)pentan-1-amine is sourced from PubChem (CID 105350355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).