N-(1-cyclopropylethenyl)-3-methyl-4-propan-2-ylaniline

C15H21N — CID 157036286

IUPACN-(1-cyclopropylethenyl)-3-methyl-4-propan-2-ylaniline
SMILESC=C(Nc1ccc(C(C)C)c(C)c1)C1CC1
InChIInChI=1S/C15H21N/c1-10(2)15-8-7-14(9-11(15)3)16-12(4)13-5-6-13/h7-10,13,16H,4-6H2,1-3H3
InChIKeyFRDSDXPHOIFWGB-UHFFFAOYSA-N
MW215.34 g/mol
LogP4.45
Rot. Bonds4

About N-(1-cyclopropylethenyl)-3-methyl-4-propan-2-ylaniline

N-(1-cyclopropylethenyl)-3-methyl-4-propan-2-ylaniline (PubChem CID 157036286) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is N-(1-cyclopropylethenyl)-3-methyl-4-propan-2-ylaniline.

Molecular Properties

Compound NameN-(1-cyclopropylethenyl)-3-methyl-4-propan-2-ylaniline
PubChem CID157036286
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC NameN-(1-cyclopropylethenyl)-3-methyl-4-propan-2-ylaniline
SMILESC=C(Nc1ccc(C(C)C)c(C)c1)C1CC1
InChIInChI=1S/C15H21N/c1-10(2)15-8-7-14(9-11(15)3)16-12(4)13-5-6-13/h7-10,13,16H,4-6H2,1-3H3
InChIKeyFRDSDXPHOIFWGB-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N-pentan-3-yl-4-propan-2-ylaniline
CID 20563831
4-chloro-2-methyl-1-propan-2-ylbenzene;hydrogen peroxide
CID 175483234
(5S)-5-(3-methyl-4-propan-2-ylanilino)-1,3-thiazolidine-2,4-dione
CID 7085157
3-ethyl-N-(3-methyl-4-propan-2-ylphenyl)benzamide
CID 142077467
3-N-(1-cyclopropylethenyl)-7-N-propan-2-ylisoquinoline-3,7-diamine
CID 129170243
N-(3-methyl-4-propan-2-ylphenyl)isoquinolin-7-amine
CID 91217770
1-(3-methyl-4-propan-2-ylphenyl)ethanone
CID 89071977
N-but-1-en-2-yl-3,4-dimethylaniline
CID 142248146
N-(3-methyl-4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 98034216
N-cyclobutyl-3-methyl-4-propan-2-ylbenzamide;molecular hydrogen
CID 159338969
N-[3-(difluoromethoxy)-4-methylphenyl]cyclopropanecarboxamide
CID 56790840
5-methyl-N-(3-methyl-4-propan-2-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 155518641

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethenyl)-3-methyl-4-propan-2-ylaniline?
The IUPAC name of N-(1-cyclopropylethenyl)-3-methyl-4-propan-2-ylaniline (CID 157036286) is N-(1-cyclopropylethenyl)-3-methyl-4-propan-2-ylaniline.
What is the SMILES notation for N-(1-cyclopropylethenyl)-3-methyl-4-propan-2-ylaniline?
The canonical SMILES for N-(1-cyclopropylethenyl)-3-methyl-4-propan-2-ylaniline is C=C(Nc1ccc(C(C)C)c(C)c1)C1CC1.
What is the InChIKey of N-(1-cyclopropylethenyl)-3-methyl-4-propan-2-ylaniline?
The InChIKey is FRDSDXPHOIFWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-10(2)15-8-7-14(9-11(15)3)16-12(4)13-5-6-13/h7-10,13,16H,4-6H2,1-3H3.
What are the key properties of N-(1-cyclopropylethenyl)-3-methyl-4-propan-2-ylaniline?
N-(1-cyclopropylethenyl)-3-methyl-4-propan-2-ylaniline has a molecular weight of 215.34 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethenyl)-3-methyl-4-propan-2-ylaniline is sourced from PubChem (CID 157036286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).