5-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]hexan-2-amine

C17H28N2 — CID 62096489

IUPAC5-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]hexan-2-amine
SMILESCC(C)CCC(C)NCc1ccc2c(c1)CCN2C
InChIInChI=1S/C17H28N2/c1-13(2)5-6-14(3)18-12-15-7-8-17-16(11-15)9-10-19(17)4/h7-8,11,13-14,18H,5-6,9-10,12H2,1-4H3
InChIKeyIIEDSHRPKZIMIA-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.59
Rot. Bonds6

About 5-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]hexan-2-amine

5-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]hexan-2-amine (PubChem CID 62096489) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 5-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]hexan-2-amine.

Molecular Properties

Compound Name5-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]hexan-2-amine
PubChem CID62096489
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name5-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]hexan-2-amine
SMILESCC(C)CCC(C)NCc1ccc2c(c1)CCN2C
InChIInChI=1S/C17H28N2/c1-13(2)5-6-14(3)18-12-15-7-8-17-16(11-15)9-10-19(17)4/h7-8,11,13-14,18H,5-6,9-10,12H2,1-4H3
InChIKeyIIEDSHRPKZIMIA-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentan-2-amine
CID 62096505
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine
CID 62070504
6-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]heptan-2-amine
CID 63421316
(1R)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-phenylethanamine
CID 81350665
2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propanoic acid
CID 62096350
1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propyl]pyrrolidin-2-one
CID 62096164
1-methoxy-3-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine
CID 65047506
(1S)-1-(4-fluorophenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine
CID 81351126
3-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904073
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 62095975
N-methoxy-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
CID 82706033
2-methyl-3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol
CID 65031805

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]hexan-2-amine?
The IUPAC name of 5-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]hexan-2-amine (CID 62096489) is 5-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]hexan-2-amine.
What is the SMILES notation for 5-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]hexan-2-amine?
The canonical SMILES for 5-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]hexan-2-amine is CC(C)CCC(C)NCc1ccc2c(c1)CCN2C.
What is the InChIKey of 5-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]hexan-2-amine?
The InChIKey is IIEDSHRPKZIMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13(2)5-6-14(3)18-12-15-7-8-17-16(11-15)9-10-19(17)4/h7-8,11,13-14,18H,5-6,9-10,12H2,1-4H3.
What are the key properties of 5-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]hexan-2-amine?
5-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]hexan-2-amine has a molecular weight of 260.43 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]hexan-2-amine is sourced from PubChem (CID 62096489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).