6-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

C16H21N3 — CID 103872004

IUPAC6-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc2c(c1)C(NCCn1cc(C)cn1)CC2
InChIInChI=1S/C16H21N3/c1-12-3-4-14-5-6-16(15(14)9-12)17-7-8-19-11-13(2)10-18-19/h3-4,9-11,16-17H,5-8H2,1-2H3
InChIKeyQGTFMGOSZQNBLB-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.78
Rot. Bonds4

About 6-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

6-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 103872004) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 6-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID103872004
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name6-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc2c(c1)C(NCCn1cc(C)cn1)CC2
InChIInChI=1S/C16H21N3/c1-12-3-4-14-5-6-16(15(14)9-12)17-7-8-19-11-13(2)10-18-19/h3-4,9-11,16-17H,5-8H2,1-2H3
InChIKeyQGTFMGOSZQNBLB-UHFFFAOYSA-N
XLogP2.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 81301273
6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 78948037
(1S)-N-(2-methoxyethyl)-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 97357930
6-methyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 81300518
8-bromo-N-[2-(4-methylpyrazol-1-yl)ethyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 103871899
4-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 106840528
N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 112705320
6-methyl-N-[(1-methylpyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 78948041
2,2-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-3,4-dihydro-1H-naphthalen-1-amine
CID 104577694
6-methyl-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-1-amine
CID 115716161
N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 113261344
5-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]pentanamide
CID 114161832

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 103872004) is 6-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is Cc1ccc2c(c1)C(NCCn1cc(C)cn1)CC2.
What is the InChIKey of 6-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is QGTFMGOSZQNBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12-3-4-14-5-6-16(15(14)9-12)17-7-8-19-11-13(2)10-18-19/h3-4,9-11,16-17H,5-8H2,1-2H3.
What are the key properties of 6-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
6-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 255.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 103872004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).