1,5-dimethyl-1H-indene;3-[5-methyl-4-[(E)-C-methyl-N-(prop-1-en-2-ylamino)carbonimidoyl]-2-propan-2-ylphenyl]prop-1-en-2-amine

C29H39N3 — CID 143589409

IUPAC1,5-dimethyl-1H-indene;3-[5-methyl-4-[(E)-C-methyl-N-(prop-1-en-2-ylamino)carbonimidoyl]-2-propan-2-ylphenyl]prop-1-en-2-amine
SMILESC=C(N)Cc1cc(C)c(/C(C)=N/NC(=C)C)cc1C(C)C.Cc1ccc2c(c1)C=CC2C
InChIInChI=1S/C18H27N3.C11H12/c1-11(2)17-10-18(15(7)21-20-12(3)4)13(5)8-16(17)9-14(6)19;1-8-3-6-11-9(2)4-5-10(11)7-8/h8,10-11,20H,3,6,9,19H2,1-2,4-5,7H3;3-7,9H,1-2H3/b21-15+;
InChIKeyKBQXSGSCTBXBQJ-NEMIEIFKSA-N
MW429.65 g/mol
LogP7.11
Rot. Bonds6

About 1,5-dimethyl-1H-indene;3-[5-methyl-4-[(E)-C-methyl-N-(prop-1-en-2-ylamino)carbonimidoyl]-2-propan-2-ylphenyl]prop-1-en-2-amine

1,5-dimethyl-1H-indene;3-[5-methyl-4-[(E)-C-methyl-N-(prop-1-en-2-ylamino)carbonimidoyl]-2-propan-2-ylphenyl]prop-1-en-2-amine (PubChem CID 143589409) has the molecular formula C29H39N3 and a molecular weight of 429.65 g/mol. Its IUPAC name is 1,5-dimethyl-1H-indene;3-[5-methyl-4-[(E)-C-methyl-N-(prop-1-en-2-ylamino)carbonimidoyl]-2-propan-2-ylphenyl]prop-1-en-2-amine.

Molecular Properties

Compound Name1,5-dimethyl-1H-indene;3-[5-methyl-4-[(E)-C-methyl-N-(prop-1-en-2-ylamino)carbonimidoyl]-2-propan-2-ylphenyl]prop-1-en-2-amine
PubChem CID143589409
Molecular FormulaC29H39N3
Molecular Weight429.65 g/mol
Exact Mass429.31
IUPAC Name1,5-dimethyl-1H-indene;3-[5-methyl-4-[(E)-C-methyl-N-(prop-1-en-2-ylamino)carbonimidoyl]-2-propan-2-ylphenyl]prop-1-en-2-amine
SMILESC=C(N)Cc1cc(C)c(/C(C)=N/NC(=C)C)cc1C(C)C.Cc1ccc2c(c1)C=CC2C
InChIInChI=1S/C18H27N3.C11H12/c1-11(2)17-10-18(15(7)21-20-12(3)4)13(5)8-16(17)9-14(6)19;1-8-3-6-11-9(2)4-5-10(11)7-8/h8,10-11,20H,3,6,9,19H2,1-2,4-5,7H3;3-7,9H,1-2H3/b21-15+;
InChIKeyKBQXSGSCTBXBQJ-NEMIEIFKSA-N
XLogP7.11
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.65
LogP ≤ 57.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

lithium;1,5-dimethyl-1H-indene;hydride
CID 175183172
1-methyl-5-prop-1-en-2-yl-1H-indene
CID 145472081
1-methyl-5-propan-2-yl-1H-indene
CID 140666479
N-[1-(2,4-dimethylphenyl)ethylideneamino]-3-methylbutanamide
CID 4132790
3-[2-[N-(carbamoylamino)-C-methylcarbonimidoyl]-4-methylphenyl]butanoic acid
CID 2750665
N-[(E)-1-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)ethylideneamino]ethanethioamide
CID 172958915
N'-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]oxamide
CID 9120782
ethyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate
CID 9075723
4-amino-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide
CID 9070567
[1-(2-hydroxy-5-methylphenyl)ethylideneamino]urea
CID 4521675
N-[1-(3,4-dimethylphenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 3986892
2,4-dimethyl-N'-(3-methylidene-4,6-dioxohept-1-en-2-yl)benzenecarboximidamide
CID 123707880

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-1H-indene;3-[5-methyl-4-[(E)-C-methyl-N-(prop-1-en-2-ylamino)carbonimidoyl]-2-propan-2-ylphenyl]prop-1-en-2-amine?
The IUPAC name of 1,5-dimethyl-1H-indene;3-[5-methyl-4-[(E)-C-methyl-N-(prop-1-en-2-ylamino)carbonimidoyl]-2-propan-2-ylphenyl]prop-1-en-2-amine (CID 143589409) is 1,5-dimethyl-1H-indene;3-[5-methyl-4-[(E)-C-methyl-N-(prop-1-en-2-ylamino)carbonimidoyl]-2-propan-2-ylphenyl]prop-1-en-2-amine.
What is the SMILES notation for 1,5-dimethyl-1H-indene;3-[5-methyl-4-[(E)-C-methyl-N-(prop-1-en-2-ylamino)carbonimidoyl]-2-propan-2-ylphenyl]prop-1-en-2-amine?
The canonical SMILES for 1,5-dimethyl-1H-indene;3-[5-methyl-4-[(E)-C-methyl-N-(prop-1-en-2-ylamino)carbonimidoyl]-2-propan-2-ylphenyl]prop-1-en-2-amine is C=C(N)Cc1cc(C)c(/C(C)=N/NC(=C)C)cc1C(C)C.Cc1ccc2c(c1)C=CC2C.
What is the InChIKey of 1,5-dimethyl-1H-indene;3-[5-methyl-4-[(E)-C-methyl-N-(prop-1-en-2-ylamino)carbonimidoyl]-2-propan-2-ylphenyl]prop-1-en-2-amine?
The InChIKey is KBQXSGSCTBXBQJ-NEMIEIFKSA-N. The full InChI is InChI=1S/C18H27N3.C11H12/c1-11(2)17-10-18(15(7)21-20-12(3)4)13(5)8-16(17)9-14(6)19;1-8-3-6-11-9(2)4-5-10(11)7-8/h8,10-11,20H,3,6,9,19H2,1-2,4-5,7H3;3-7,9H,1-2H3/b21-15+;.
What are the key properties of 1,5-dimethyl-1H-indene;3-[5-methyl-4-[(E)-C-methyl-N-(prop-1-en-2-ylamino)carbonimidoyl]-2-propan-2-ylphenyl]prop-1-en-2-amine?
1,5-dimethyl-1H-indene;3-[5-methyl-4-[(E)-C-methyl-N-(prop-1-en-2-ylamino)carbonimidoyl]-2-propan-2-ylphenyl]prop-1-en-2-amine has a molecular weight of 429.65 g/mol, XLogP of 7.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-1H-indene;3-[5-methyl-4-[(E)-C-methyl-N-(prop-1-en-2-ylamino)carbonimidoyl]-2-propan-2-ylphenyl]prop-1-en-2-amine is sourced from PubChem (CID 143589409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).