N-propyl-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine

C17H29N — CID 63523301

IUPACN-propyl-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine
SMILESCCCNCC(CC)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C17H29N/c1-6-8-18-12-16(7-2)11-17-14(4)9-13(3)10-15(17)5/h9-10,16,18H,6-8,11-12H2,1-5H3
InChIKeyRWIPEKHBGHWNOO-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.18
Rot. Bonds7

About N-propyl-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine

N-propyl-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine (PubChem CID 63523301) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-propyl-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-propyl-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine
PubChem CID63523301
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-propyl-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine
SMILESCCCNCC(CC)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C17H29N/c1-6-8-18-12-16(7-2)11-17-14(4)9-13(3)10-15(17)5/h9-10,16,18H,6-8,11-12H2,1-5H3
InChIKeyRWIPEKHBGHWNOO-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.18
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

N-(2-methoxyethyl)-4-methyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine
CID 63507800
2-(propylamino)-1-(2,4,6-trimethylphenyl)ethanol
CID 62774498
2-[(3,5-dimethylphenyl)methyl]-N-(2-methoxyethyl)butan-1-amine
CID 62718496
3-methyl-N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)butan-1-amine
CID 81015450
3-(2-fluoro-4,6-dimethylphenyl)-2-methyl-N-propylbutan-1-amine
CID 106882869
2-[(3,4-dimethylphenyl)methyl]-N-propylpentan-1-amine
CID 63497107
1-N,1-N-dimethyl-2-N-propyl-3-(2,4,6-trimethylphenyl)propane-1,2-diamine
CID 79088757
N-ethyl-3-methyl-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine
CID 63521679
2,2-dimethyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-1-amine
CID 63522164
1-methylsulfonyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 115601465
2-butyl-1,3,5-trimethylbenzene
CID 527298
N-[1-(5-iodothiophen-3-yl)-2-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 115828885

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine?
The IUPAC name of N-propyl-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine (CID 63523301) is N-propyl-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine.
What is the SMILES notation for N-propyl-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine?
The canonical SMILES for N-propyl-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine is CCCNCC(CC)Cc1c(C)cc(C)cc1C.
What is the InChIKey of N-propyl-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine?
The InChIKey is RWIPEKHBGHWNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-6-8-18-12-16(7-2)11-17-14(4)9-13(3)10-15(17)5/h9-10,16,18H,6-8,11-12H2,1-5H3.
What are the key properties of N-propyl-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine?
N-propyl-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine is sourced from PubChem (CID 63523301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).