N-ethyl-2-[3-methyl-3-[(1R)-2-methylcyclopenta-2,4-dien-1-yl]but-1-en-2-yl]aniline

C19H25N — CID 174071338

IUPACN-ethyl-2-[3-methyl-3-[(1R)-2-methylcyclopenta-2,4-dien-1-yl]but-1-en-2-yl]aniline
SMILESC=C(c1ccccc1NCC)C(C)(C)[C@@H]1C=CC=C1C
InChIInChI=1S/C19H25N/c1-6-20-18-13-8-7-11-16(18)15(3)19(4,5)17-12-9-10-14(17)2/h7-13,17,20H,3,6H2,1-2,4-5H3/t17-/m1/s1
InChIKeyXDFLJWWQJZWKOD-QGZVFWFLSA-N
MW267.42 g/mol
LogP5.29
Rot. Bonds5

About N-ethyl-2-[3-methyl-3-[(1R)-2-methylcyclopenta-2,4-dien-1-yl]but-1-en-2-yl]aniline

N-ethyl-2-[3-methyl-3-[(1R)-2-methylcyclopenta-2,4-dien-1-yl]but-1-en-2-yl]aniline (PubChem CID 174071338) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is N-ethyl-2-[3-methyl-3-[(1R)-2-methylcyclopenta-2,4-dien-1-yl]but-1-en-2-yl]aniline.

Molecular Properties

Compound NameN-ethyl-2-[3-methyl-3-[(1R)-2-methylcyclopenta-2,4-dien-1-yl]but-1-en-2-yl]aniline
PubChem CID174071338
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC NameN-ethyl-2-[3-methyl-3-[(1R)-2-methylcyclopenta-2,4-dien-1-yl]but-1-en-2-yl]aniline
SMILESC=C(c1ccccc1NCC)C(C)(C)[C@@H]1C=CC=C1C
InChIInChI=1S/C19H25N/c1-6-20-18-13-8-7-11-16(18)15(3)19(4,5)17-12-9-10-14(17)2/h7-13,17,20H,3,6H2,1-2,4-5H3/t17-/m1/s1
InChIKeyXDFLJWWQJZWKOD-QGZVFWFLSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-ethyl-2-[3-methyl-3-[(1R)-2-methylcyclopenta-2,4-dien-1-yl]but-1-en-2-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(ethylamino)phenyl]-phenylmethanone
CID 3661027
1-N,2-N-diethylbenzene-1,2-diamine;hydrochloride
CID 158225673
ethyl 2-[[2-(ethylamino)benzoyl]amino]acetate
CID 55177471
2-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 82724577
2-(ethylamino)-N-(2-fluorophenyl)benzamide
CID 55042608
CID 67277559
CID 67277559
CID 175798397
CID 175798397
2-(ethylamino)-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65109341
2-[[2-(ethylamino)benzoyl]amino]benzoic acid
CID 14221255
N-(2,3-dimethylcyclopentyl)-2-(ethylamino)benzamide
CID 64923029
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(ethylamino)benzamide
CID 106097445
2-[[2-(ethylamino)benzoyl]amino]benzamide
CID 63107722

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-methyl-3-[(1R)-2-methylcyclopenta-2,4-dien-1-yl]but-1-en-2-yl]aniline?
The IUPAC name of N-ethyl-2-[3-methyl-3-[(1R)-2-methylcyclopenta-2,4-dien-1-yl]but-1-en-2-yl]aniline (CID 174071338) is N-ethyl-2-[3-methyl-3-[(1R)-2-methylcyclopenta-2,4-dien-1-yl]but-1-en-2-yl]aniline.
What is the SMILES notation for N-ethyl-2-[3-methyl-3-[(1R)-2-methylcyclopenta-2,4-dien-1-yl]but-1-en-2-yl]aniline?
The canonical SMILES for N-ethyl-2-[3-methyl-3-[(1R)-2-methylcyclopenta-2,4-dien-1-yl]but-1-en-2-yl]aniline is C=C(c1ccccc1NCC)C(C)(C)[C@@H]1C=CC=C1C.
What is the InChIKey of N-ethyl-2-[3-methyl-3-[(1R)-2-methylcyclopenta-2,4-dien-1-yl]but-1-en-2-yl]aniline?
The InChIKey is XDFLJWWQJZWKOD-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25N/c1-6-20-18-13-8-7-11-16(18)15(3)19(4,5)17-12-9-10-14(17)2/h7-13,17,20H,3,6H2,1-2,4-5H3/t17-/m1/s1.
What are the key properties of N-ethyl-2-[3-methyl-3-[(1R)-2-methylcyclopenta-2,4-dien-1-yl]but-1-en-2-yl]aniline?
N-ethyl-2-[3-methyl-3-[(1R)-2-methylcyclopenta-2,4-dien-1-yl]but-1-en-2-yl]aniline has a molecular weight of 267.42 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-methyl-3-[(1R)-2-methylcyclopenta-2,4-dien-1-yl]but-1-en-2-yl]aniline is sourced from PubChem (CID 174071338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).