N-[1-[1-(cyclopropylmethyl)-7-ethylindol-2-yl]ethyl]-3,5-bis(ethenyl)-2-methylaniline

C27H32N2 — CID 146365032

IUPACN-[1-[1-(cyclopropylmethyl)-7-ethylindol-2-yl]ethyl]-3,5-bis(ethenyl)-2-methylaniline
SMILESC=Cc1cc(C=C)c(C)c(NC(C)c2cc3cccc(CC)c3n2CC2CC2)c1
InChIInChI=1S/C27H32N2/c1-6-20-14-23(8-3)18(4)25(15-20)28-19(5)26-16-24-11-9-10-22(7-2)27(24)29(26)17-21-12-13-21/h6,8-11,14-16,19,21,28H,1,3,7,12-13,17H2,2,4-5H3
InChIKeyMMFFHZZLEMCUIP-UHFFFAOYSA-N
MW384.57 g/mol
LogP7.38
Rot. Bonds8

About N-[1-[1-(cyclopropylmethyl)-7-ethylindol-2-yl]ethyl]-3,5-bis(ethenyl)-2-methylaniline

N-[1-[1-(cyclopropylmethyl)-7-ethylindol-2-yl]ethyl]-3,5-bis(ethenyl)-2-methylaniline (PubChem CID 146365032) has the molecular formula C27H32N2 and a molecular weight of 384.57 g/mol. Its IUPAC name is N-[1-[1-(cyclopropylmethyl)-7-ethylindol-2-yl]ethyl]-3,5-bis(ethenyl)-2-methylaniline.

Molecular Properties

Compound NameN-[1-[1-(cyclopropylmethyl)-7-ethylindol-2-yl]ethyl]-3,5-bis(ethenyl)-2-methylaniline
PubChem CID146365032
Molecular FormulaC27H32N2
Molecular Weight384.57 g/mol
Exact Mass384.26
IUPAC NameN-[1-[1-(cyclopropylmethyl)-7-ethylindol-2-yl]ethyl]-3,5-bis(ethenyl)-2-methylaniline
SMILESC=Cc1cc(C=C)c(C)c(NC(C)c2cc3cccc(CC)c3n2CC2CC2)c1
InChIInChI=1S/C27H32N2/c1-6-20-14-23(8-3)18(4)25(15-20)28-19(5)26-16-24-11-9-10-22(7-2)27(24)29(26)17-21-12-13-21/h6,8-11,14-16,19,21,28H,1,3,7,12-13,17H2,2,4-5H3
InChIKeyMMFFHZZLEMCUIP-UHFFFAOYSA-N
XLogP7.38
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.57
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropylmethyl)-2-ethenyl-7-methylindole
CID 138503156
1-(cyclopropylmethyl)-2-ethenylindole
CID 138503170
(3R)-1-[1-[2-[1-(cyclopropylmethyl)-7-ethylindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine
CID 138579218
2-[1-(cyclobutylmethyl)indol-2-yl]propanoic acid
CID 115107128
2-[1-(cyclopropylmethyl)-7-methoxyindol-2-yl]-5-ethenyl-1,6-dimethylbenzimidazole;ethane
CID 170604107
6-(1-cyclobutylethylamino)-7-[(4-ethylcyclohexyl)methyl]-8-(3-methylphenyl)purine-2-carboxylic acid
CID 123824384
3-[1-(cyclopentylmethyl)indol-2-yl]butanoic acid
CID 117119019
2-[5-bromo-1-(cyclopropylmethyl)indol-2-yl]-7-ethenyl-3-methylimidazo[1,2-a]pyridine
CID 138579077
1-(cyclopropylmethyl)-6-ethenylindole-2-carboxylic acid
CID 151961405
1-(cyclopropylmethyl)-6-propan-2-ylpyridin-2-one
CID 156528931
1-(cyclopropylmethyl)-7-methoxyindole-2-carboxylic acid
CID 146347451
6-[[(1R)-1-cyclobutylethyl]amino]-8-(4-ethyl-2-pyridinyl)-7-[(4-methylcyclohexyl)methyl]purine-2-carboxylic acid
CID 90320007

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(cyclopropylmethyl)-7-ethylindol-2-yl]ethyl]-3,5-bis(ethenyl)-2-methylaniline?
The IUPAC name of N-[1-[1-(cyclopropylmethyl)-7-ethylindol-2-yl]ethyl]-3,5-bis(ethenyl)-2-methylaniline (CID 146365032) is N-[1-[1-(cyclopropylmethyl)-7-ethylindol-2-yl]ethyl]-3,5-bis(ethenyl)-2-methylaniline.
What is the SMILES notation for N-[1-[1-(cyclopropylmethyl)-7-ethylindol-2-yl]ethyl]-3,5-bis(ethenyl)-2-methylaniline?
The canonical SMILES for N-[1-[1-(cyclopropylmethyl)-7-ethylindol-2-yl]ethyl]-3,5-bis(ethenyl)-2-methylaniline is C=Cc1cc(C=C)c(C)c(NC(C)c2cc3cccc(CC)c3n2CC2CC2)c1.
What is the InChIKey of N-[1-[1-(cyclopropylmethyl)-7-ethylindol-2-yl]ethyl]-3,5-bis(ethenyl)-2-methylaniline?
The InChIKey is MMFFHZZLEMCUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2/c1-6-20-14-23(8-3)18(4)25(15-20)28-19(5)26-16-24-11-9-10-22(7-2)27(24)29(26)17-21-12-13-21/h6,8-11,14-16,19,21,28H,1,3,7,12-13,17H2,2,4-5H3.
What are the key properties of N-[1-[1-(cyclopropylmethyl)-7-ethylindol-2-yl]ethyl]-3,5-bis(ethenyl)-2-methylaniline?
N-[1-[1-(cyclopropylmethyl)-7-ethylindol-2-yl]ethyl]-3,5-bis(ethenyl)-2-methylaniline has a molecular weight of 384.57 g/mol, XLogP of 7.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(cyclopropylmethyl)-7-ethylindol-2-yl]ethyl]-3,5-bis(ethenyl)-2-methylaniline is sourced from PubChem (CID 146365032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).