N-[2-[(3S)-1,5-dimethyl-2,3-dihydroindol-3-yl]ethyl]-N-propan-2-ylpropan-2-amine

C18H30N2 — CID 169244272

IUPACN-[2-[(3S)-1,5-dimethyl-2,3-dihydroindol-3-yl]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCc1ccc2c(c1)[C@H](CCN(C(C)C)C(C)C)CN2C
InChIInChI=1S/C18H30N2/c1-13(2)20(14(3)4)10-9-16-12-19(6)18-8-7-15(5)11-17(16)18/h7-8,11,13-14,16H,9-10,12H2,1-6H3/t16-/m1/s1
InChIKeyZSSUZMNIXSPRQL-MRXNPFEDSA-N
MW274.45 g/mol
LogP4.04
Rot. Bonds5

About N-[2-[(3S)-1,5-dimethyl-2,3-dihydroindol-3-yl]ethyl]-N-propan-2-ylpropan-2-amine

N-[2-[(3S)-1,5-dimethyl-2,3-dihydroindol-3-yl]ethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 169244272) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[2-[(3S)-1,5-dimethyl-2,3-dihydroindol-3-yl]ethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[(3S)-1,5-dimethyl-2,3-dihydroindol-3-yl]ethyl]-N-propan-2-ylpropan-2-amine
PubChem CID169244272
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[2-[(3S)-1,5-dimethyl-2,3-dihydroindol-3-yl]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCc1ccc2c(c1)[C@H](CCN(C(C)C)C(C)C)CN2C
InChIInChI=1S/C18H30N2/c1-13(2)20(14(3)4)10-9-16-12-19(6)18-8-7-15(5)11-17(16)18/h7-8,11,13-14,16H,9-10,12H2,1-6H3/t16-/m1/s1
InChIKeyZSSUZMNIXSPRQL-MRXNPFEDSA-N
XLogP4.04
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[2-[(3S)-1,5-dimethyl-2,3-dihydroindol-3-yl]ethyl]-N-propan-2-ylpropan-2-amine with MolForge

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Related Compounds

3-benzyl-1,5-dimethyl-2,3-dihydroindole
CID 83960221
2-[(3R)-5-methoxy-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethylethanamine
CID 170323800
2-(1,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl)-N-methylethanamine
CID 84623134
(5-methyl-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
CID 83861221
1-(1-methyl-5-propan-2-yl-2,3-dihydroindol-3-yl)propan-2-amine
CID 82277241
(3R,4S)-3-amino-1,6-dimethyl-3,4-dihydro-2H-quinolin-4-ol
CID 97028375
2-(5-chloro-1-methyl-2,3-dihydroindol-3-yl)-N-methylethanamine
CID 117202142
3-(5-bromo-1-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117202168
3-(5-chloro-1-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117202164
2-(5-hydroxy-1-methyl-2,3-dihydroindol-3-yl)acetaldehyde
CID 117202469
3-(5-methoxy-1-methyl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine
CID 117202519
1-(1-ethyl-5-methyl-2,3-dihydroindol-3-yl)propan-2-one
CID 117201853

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-1,5-dimethyl-2,3-dihydroindol-3-yl]ethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-[(3S)-1,5-dimethyl-2,3-dihydroindol-3-yl]ethyl]-N-propan-2-ylpropan-2-amine (CID 169244272) is N-[2-[(3S)-1,5-dimethyl-2,3-dihydroindol-3-yl]ethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-[(3S)-1,5-dimethyl-2,3-dihydroindol-3-yl]ethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-[(3S)-1,5-dimethyl-2,3-dihydroindol-3-yl]ethyl]-N-propan-2-ylpropan-2-amine is Cc1ccc2c(c1)[C@H](CCN(C(C)C)C(C)C)CN2C.
What is the InChIKey of N-[2-[(3S)-1,5-dimethyl-2,3-dihydroindol-3-yl]ethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is ZSSUZMNIXSPRQL-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H30N2/c1-13(2)20(14(3)4)10-9-16-12-19(6)18-8-7-15(5)11-17(16)18/h7-8,11,13-14,16H,9-10,12H2,1-6H3/t16-/m1/s1.
What are the key properties of N-[2-[(3S)-1,5-dimethyl-2,3-dihydroindol-3-yl]ethyl]-N-propan-2-ylpropan-2-amine?
N-[2-[(3S)-1,5-dimethyl-2,3-dihydroindol-3-yl]ethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-1,5-dimethyl-2,3-dihydroindol-3-yl]ethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 169244272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).