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

C16H26N2 — CID 62096505

IUPAC4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentan-2-amine
SMILESCC(C)CC(C)NCc1ccc2c(c1)CCN2C
InChIInChI=1S/C16H26N2/c1-12(2)9-13(3)17-11-14-5-6-16-15(10-14)7-8-18(16)4/h5-6,10,12-13,17H,7-9,11H2,1-4H3
InChIKeyPREUJXOMOWZAEB-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.20
Rot. Bonds5

About 4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentan-2-amine

4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentan-2-amine (PubChem CID 62096505) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentan-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentan-2-amine
PubChem CID62096505
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentan-2-amine
SMILESCC(C)CC(C)NCc1ccc2c(c1)CCN2C
InChIInChI=1S/C16H26N2/c1-12(2)9-13(3)17-11-14-5-6-16-15(10-14)7-8-18(16)4/h5-6,10,12-13,17H,7-9,11H2,1-4H3
InChIKeyPREUJXOMOWZAEB-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.20
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

N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine
CID 62070504
5-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]hexan-2-amine
CID 62096489
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
(2S)-2-amino-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentanamide
CID 110482520
4-methyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]pentanoic acid
CID 62095154
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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentan-2-amine?
The IUPAC name of 4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentan-2-amine (CID 62096505) is 4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentan-2-amine.
What is the SMILES notation for 4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentan-2-amine?
The canonical SMILES for 4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentan-2-amine is CC(C)CC(C)NCc1ccc2c(c1)CCN2C.
What is the InChIKey of 4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentan-2-amine?
The InChIKey is PREUJXOMOWZAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12(2)9-13(3)17-11-14-5-6-16-15(10-14)7-8-18(16)4/h5-6,10,12-13,17H,7-9,11H2,1-4H3.
What are the key properties of 4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentan-2-amine?
4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentan-2-amine has a molecular weight of 246.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentan-2-amine is sourced from PubChem (CID 62096505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).