N-pentan-3-yl-2,4-di(propan-2-yl)aniline

C17H29N — CID 43693580

IUPACN-pentan-3-yl-2,4-di(propan-2-yl)aniline
SMILESCCC(CC)Nc1ccc(C(C)C)cc1C(C)C
InChIInChI=1S/C17H29N/c1-7-15(8-2)18-17-10-9-14(12(3)4)11-16(17)13(5)6/h9-13,15,18H,7-8H2,1-6H3
InChIKeyLZIVUFBPVVRQEC-UHFFFAOYSA-N
MW247.43 g/mol
LogP5.53
Rot. Bonds6

About N-pentan-3-yl-2,4-di(propan-2-yl)aniline

N-pentan-3-yl-2,4-di(propan-2-yl)aniline (PubChem CID 43693580) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-pentan-3-yl-2,4-di(propan-2-yl)aniline.

Molecular Properties

Compound NameN-pentan-3-yl-2,4-di(propan-2-yl)aniline
PubChem CID43693580
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-pentan-3-yl-2,4-di(propan-2-yl)aniline
SMILESCCC(CC)Nc1ccc(C(C)C)cc1C(C)C
InChIInChI=1S/C17H29N/c1-7-15(8-2)18-17-10-9-14(12(3)4)11-16(17)13(5)6/h9-13,15,18H,7-8H2,1-6H3
InChIKeyLZIVUFBPVVRQEC-UHFFFAOYSA-N
XLogP5.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(furan-2-yl)propyl]-2,4-di(propan-2-yl)aniline
CID 63434581
1-[2,4-di(propan-2-yl)phenyl]-2-(2-propan-2-ylphenyl)hydrazine
CID 57083210
N-[1-(5-bromothiophen-2-yl)ethyl]-2,4-di(propan-2-yl)aniline
CID 63434709
1-[2,4-di(propan-2-yl)phenyl]-N-propylpropan-1-amine
CID 43496442
(1R)-1-(2-methyl-5-propan-2-ylphenyl)propan-1-amine
CID 55296635
N-[2,4-di(propan-2-yl)phenyl]nitramide
CID 163905282
N-[2,4-di(propan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide
CID 62852532
1-[2,4-di(propan-2-yl)phenyl]-2-ethyl-N-methylbutan-1-amine
CID 43484507
3-methyl-N-pentan-3-yl-4-propan-2-ylaniline
CID 20563831
N-(3-ethylcyclopentyl)-2,4-di(propan-2-yl)aniline
CID 64501064
3-amino-N-[2,4-di(propan-2-yl)phenyl]propanamide
CID 43705485
3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylpropanamide
CID 55105659

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-2,4-di(propan-2-yl)aniline?
The IUPAC name of N-pentan-3-yl-2,4-di(propan-2-yl)aniline (CID 43693580) is N-pentan-3-yl-2,4-di(propan-2-yl)aniline.
What is the SMILES notation for N-pentan-3-yl-2,4-di(propan-2-yl)aniline?
The canonical SMILES for N-pentan-3-yl-2,4-di(propan-2-yl)aniline is CCC(CC)Nc1ccc(C(C)C)cc1C(C)C.
What is the InChIKey of N-pentan-3-yl-2,4-di(propan-2-yl)aniline?
The InChIKey is LZIVUFBPVVRQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-7-15(8-2)18-17-10-9-14(12(3)4)11-16(17)13(5)6/h9-13,15,18H,7-8H2,1-6H3.
What are the key properties of N-pentan-3-yl-2,4-di(propan-2-yl)aniline?
N-pentan-3-yl-2,4-di(propan-2-yl)aniline has a molecular weight of 247.43 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-2,4-di(propan-2-yl)aniline is sourced from PubChem (CID 43693580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).