2,6,6-trimethyl-1-[(E)-pent-3-enyl]-5,7-dihydro-4H-indol-4-amine

C16H26N2 — CID 113466125

IUPAC2,6,6-trimethyl-1-[(E)-pent-3-enyl]-5,7-dihydro-4H-indol-4-amine
SMILESC/C=C/CCn1c(C)cc2c1CC(C)(C)CC2N
InChIInChI=1S/C16H26N2/c1-5-6-7-8-18-12(2)9-13-14(17)10-16(3,4)11-15(13)18/h5-6,9,14H,7-8,10-11,17H2,1-4H3/b6-5+
InChIKeyCFIBVXIXEHTZBW-AATRIKPKSA-N
MW246.40 g/mol
LogP3.73
Rot. Bonds3

About 2,6,6-trimethyl-1-[(E)-pent-3-enyl]-5,7-dihydro-4H-indol-4-amine

2,6,6-trimethyl-1-[(E)-pent-3-enyl]-5,7-dihydro-4H-indol-4-amine (PubChem CID 113466125) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2,6,6-trimethyl-1-[(E)-pent-3-enyl]-5,7-dihydro-4H-indol-4-amine.

Molecular Properties

Compound Name2,6,6-trimethyl-1-[(E)-pent-3-enyl]-5,7-dihydro-4H-indol-4-amine
PubChem CID113466125
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2,6,6-trimethyl-1-[(E)-pent-3-enyl]-5,7-dihydro-4H-indol-4-amine
SMILESC/C=C/CCn1c(C)cc2c1CC(C)(C)CC2N
InChIInChI=1S/C16H26N2/c1-5-6-7-8-18-12(2)9-13-14(17)10-16(3,4)11-15(13)18/h5-6,9,14H,7-8,10-11,17H2,1-4H3/b6-5+
InChIKeyCFIBVXIXEHTZBW-AATRIKPKSA-N
XLogP3.73
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-cyclopentylethyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 63466449
2,6,6-trimethyl-1-(2-prop-2-ynylsulfanylethyl)-5,7-dihydro-4H-indol-4-amine
CID 106432346
1-(2-chloroprop-2-enyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 113464841
2,6,6-trimethyl-1-[2-(oxan-2-yl)ethyl]-5,7-dihydro-4H-indol-4-amine
CID 106003163
2,6,6-trimethyl-1-(2-methylsulfanylpropyl)-5,7-dihydro-4H-indol-4-amine
CID 113466885
1-[2-(5-bromothiophen-2-yl)ethyl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 106039338
2,6,6-trimethyl-1-[3-(1H-1,2,4-triazol-5-yl)propyl]-5,7-dihydro-4H-indol-4-amine
CID 64530565
2,6,6-trimethyl-1-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydro-4H-indol-4-amine
CID 62994598
1-(2,4-dichlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 63466785
1-(2,3-dichlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 63465933
2,6,6-trimethyl-1-piperidin-1-yl-5,7-dihydro-4H-indol-4-amine
CID 83023419
1-(2,6-dimethylpiperidin-1-yl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 83016943

Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-1-[(E)-pent-3-enyl]-5,7-dihydro-4H-indol-4-amine?
The IUPAC name of 2,6,6-trimethyl-1-[(E)-pent-3-enyl]-5,7-dihydro-4H-indol-4-amine (CID 113466125) is 2,6,6-trimethyl-1-[(E)-pent-3-enyl]-5,7-dihydro-4H-indol-4-amine.
What is the SMILES notation for 2,6,6-trimethyl-1-[(E)-pent-3-enyl]-5,7-dihydro-4H-indol-4-amine?
The canonical SMILES for 2,6,6-trimethyl-1-[(E)-pent-3-enyl]-5,7-dihydro-4H-indol-4-amine is C/C=C/CCn1c(C)cc2c1CC(C)(C)CC2N.
What is the InChIKey of 2,6,6-trimethyl-1-[(E)-pent-3-enyl]-5,7-dihydro-4H-indol-4-amine?
The InChIKey is CFIBVXIXEHTZBW-AATRIKPKSA-N. The full InChI is InChI=1S/C16H26N2/c1-5-6-7-8-18-12(2)9-13-14(17)10-16(3,4)11-15(13)18/h5-6,9,14H,7-8,10-11,17H2,1-4H3/b6-5+.
What are the key properties of 2,6,6-trimethyl-1-[(E)-pent-3-enyl]-5,7-dihydro-4H-indol-4-amine?
2,6,6-trimethyl-1-[(E)-pent-3-enyl]-5,7-dihydro-4H-indol-4-amine has a molecular weight of 246.40 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-1-[(E)-pent-3-enyl]-5,7-dihydro-4H-indol-4-amine is sourced from PubChem (CID 113466125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).