N,2-dipropyl-1-(2,4,6-trimethylphenyl)pentan-1-amine

C20H35N — CID 82985195

IUPACN,2-dipropyl-1-(2,4,6-trimethylphenyl)pentan-1-amine
SMILESCCCNC(c1c(C)cc(C)cc1C)C(CCC)CCC
InChIInChI=1S/C20H35N/c1-7-10-18(11-8-2)20(21-12-9-3)19-16(5)13-15(4)14-17(19)6/h13-14,18,20-21H,7-12H2,1-6H3
InChIKeyKJBADEBOIOLPBE-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.87
Rot. Bonds9

About N,2-dipropyl-1-(2,4,6-trimethylphenyl)pentan-1-amine

N,2-dipropyl-1-(2,4,6-trimethylphenyl)pentan-1-amine (PubChem CID 82985195) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is N,2-dipropyl-1-(2,4,6-trimethylphenyl)pentan-1-amine.

Molecular Properties

Compound NameN,2-dipropyl-1-(2,4,6-trimethylphenyl)pentan-1-amine
PubChem CID82985195
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC NameN,2-dipropyl-1-(2,4,6-trimethylphenyl)pentan-1-amine
SMILESCCCNC(c1c(C)cc(C)cc1C)C(CCC)CCC
InChIInChI=1S/C20H35N/c1-7-10-18(11-8-2)20(21-12-9-3)19-16(5)13-15(4)14-17(19)6/h13-14,18,20-21H,7-12H2,1-6H3
InChIKeyKJBADEBOIOLPBE-UHFFFAOYSA-N
XLogP5.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-N-propylbutan-1-amine
CID 106878938
2-(1-chloro-2-propylpentyl)-1,3,5-trimethylbenzene
CID 82987069
N,2-diethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine
CID 43491112
3-methyl-N-propyl-1-(2,4,6-trimethylphenyl)hexan-1-amine
CID 115845570
2-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylpentan-1-amine
CID 106881995
2-(1-bromo-2-propylpentyl)-1,3,5-trimethylbenzene
CID 82987727
2-(propylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 82314916
N-[2-[(2-methylpropan-2-yl)oxy]-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 63475624
1-(4-methoxy-2-methylphenyl)-N,2-dipropylpentan-1-amine
CID 82984646
1-(4-methoxy-3-methylphenyl)-N,2-dipropylpentan-1-amine
CID 82984206
3-methylsulfonyl-N-propyl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 115848516
1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 106881532

Frequently Asked Questions

What is the IUPAC name of N,2-dipropyl-1-(2,4,6-trimethylphenyl)pentan-1-amine?
The IUPAC name of N,2-dipropyl-1-(2,4,6-trimethylphenyl)pentan-1-amine (CID 82985195) is N,2-dipropyl-1-(2,4,6-trimethylphenyl)pentan-1-amine.
What is the SMILES notation for N,2-dipropyl-1-(2,4,6-trimethylphenyl)pentan-1-amine?
The canonical SMILES for N,2-dipropyl-1-(2,4,6-trimethylphenyl)pentan-1-amine is CCCNC(c1c(C)cc(C)cc1C)C(CCC)CCC.
What is the InChIKey of N,2-dipropyl-1-(2,4,6-trimethylphenyl)pentan-1-amine?
The InChIKey is KJBADEBOIOLPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-7-10-18(11-8-2)20(21-12-9-3)19-16(5)13-15(4)14-17(19)6/h13-14,18,20-21H,7-12H2,1-6H3.
What are the key properties of N,2-dipropyl-1-(2,4,6-trimethylphenyl)pentan-1-amine?
N,2-dipropyl-1-(2,4,6-trimethylphenyl)pentan-1-amine has a molecular weight of 289.51 g/mol, XLogP of 5.87, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dipropyl-1-(2,4,6-trimethylphenyl)pentan-1-amine is sourced from PubChem (CID 82985195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).