1-heptan-2-yl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine

C18H32N2 — CID 63464666

IUPAC1-heptan-2-yl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
SMILESCCCCCC(C)n1c(C)cc2c1CC(C)(C)CC2N
InChIInChI=1S/C18H32N2/c1-6-7-8-9-13(2)20-14(3)10-15-16(19)11-18(4,5)12-17(15)20/h10,13,16H,6-9,11-12,19H2,1-5H3
InChIKeyLHWCAGQPLJYCTG-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.91
Rot. Bonds5

About 1-heptan-2-yl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine

1-heptan-2-yl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine (PubChem CID 63464666) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 1-heptan-2-yl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine.

Molecular Properties

Compound Name1-heptan-2-yl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
PubChem CID63464666
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name1-heptan-2-yl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
SMILESCCCCCC(C)n1c(C)cc2c1CC(C)(C)CC2N
InChIInChI=1S/C18H32N2/c1-6-7-8-9-13(2)20-14(3)10-15-16(19)11-18(4,5)12-17(15)20/h10,13,16H,6-9,11-12,19H2,1-5H3
InChIKeyLHWCAGQPLJYCTG-UHFFFAOYSA-N
XLogP4.91
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6,6-trimethyl-1-(2-methylsulfanylpropyl)-5,7-dihydro-4H-indol-4-amine
CID 113466885
1-hexan-2-yl-2-methyl-4,5,6,7-tetrahydroindol-4-ol
CID 62198989
1-heptan-2-yl-2,5-dimethylpyrrole
CID 63404385
1-(2,3-dichlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 63465933
1-(2-chloroprop-2-enyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 113464841
1-(3-bromophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 63465369
1-(2,2-dimethyloxan-4-yl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 83035477
2,6,6-trimethyl-1-(2-prop-2-ynylsulfanylethyl)-5,7-dihydro-4H-indol-4-amine
CID 106432346
1-[2-(5-bromothiophen-2-yl)ethyl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 106039338
6,6-dimethyl-1-pentan-3-yl-5,7-dihydro-4H-indazol-4-amine
CID 65356455
(4R)-7-fluoro-2-methyl-2-pentyl-3,4-dihydrochromen-4-amine
CID 104947950
3,3-dimethyl-1-octan-2-ylpiperidin-4-amine
CID 114267629

Frequently Asked Questions

What is the IUPAC name of 1-heptan-2-yl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine?
The IUPAC name of 1-heptan-2-yl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine (CID 63464666) is 1-heptan-2-yl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine.
What is the SMILES notation for 1-heptan-2-yl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine?
The canonical SMILES for 1-heptan-2-yl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine is CCCCCC(C)n1c(C)cc2c1CC(C)(C)CC2N.
What is the InChIKey of 1-heptan-2-yl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine?
The InChIKey is LHWCAGQPLJYCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-6-7-8-9-13(2)20-14(3)10-15-16(19)11-18(4,5)12-17(15)20/h10,13,16H,6-9,11-12,19H2,1-5H3.
What are the key properties of 1-heptan-2-yl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine?
1-heptan-2-yl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine has a molecular weight of 276.47 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptan-2-yl-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine is sourced from PubChem (CID 63464666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).