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

C16H26N2 — CID 113320268

IUPAC2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentan-2-amine
SMILESCCCC(C)(C)NCc1ccc2c(c1)CCN2C
InChIInChI=1S/C16H26N2/c1-5-9-16(2,3)17-12-13-6-7-15-14(11-13)8-10-18(15)4/h6-7,11,17H,5,8-10,12H2,1-4H3
InChIKeyBOASBZFLSXXLSZ-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.35
Rot. Bonds5

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

2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentan-2-amine (PubChem CID 113320268) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentan-2-amine
PubChem CID113320268
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentan-2-amine
SMILESCCCC(C)(C)NCc1ccc2c(c1)CCN2C
InChIInChI=1S/C16H26N2/c1-5-9-16(2,3)17-12-13-6-7-15-14(11-13)8-10-18(15)4/h6-7,11,17H,5,8-10,12H2,1-4H3
InChIKeyBOASBZFLSXXLSZ-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
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-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpentan-2-amine
CID 115629541
1-methyl-5-propyl-2,3-dihydroindole
CID 89046240
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine
CID 62096654
2,2-dimethyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanenitrile
CID 116997085
2-methyl-N-[2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propan-2-amine
CID 64867066
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine
CID 62070504
N-methoxy-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
CID 82706033
2,2-dimethyl-3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol
CID 115359011
4-methoxy-2,2-dimethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine
CID 104625143
4-ethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62097544
2-ethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 62094936
1-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]pentan-2-ol
CID 115756799

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentan-2-amine?
The IUPAC name of 2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentan-2-amine (CID 113320268) is 2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentan-2-amine.
What is the SMILES notation for 2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentan-2-amine?
The canonical SMILES for 2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentan-2-amine is CCCC(C)(C)NCc1ccc2c(c1)CCN2C.
What is the InChIKey of 2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentan-2-amine?
The InChIKey is BOASBZFLSXXLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-5-9-16(2,3)17-12-13-6-7-15-14(11-13)8-10-18(15)4/h6-7,11,17H,5,8-10,12H2,1-4H3.
What are the key properties of 2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentan-2-amine?
2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentan-2-amine has a molecular weight of 246.40 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentan-2-amine is sourced from PubChem (CID 113320268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).