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

C17H27N3O — CID 79370220

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(NCC1CN(C)CCN1C)CC2
InChIInChI=1S/C17H27N3O/c1-19-8-9-20(2)14(12-19)11-18-17-7-5-13-4-6-15(21-3)10-16(13)17/h4,6,10,14,17-18H,5,7-9,11-12H2,1-3H3
InChIKeyDKEPUDSQRTVYJB-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.52
Rot. Bonds4

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

N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine (PubChem CID 79370220) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
PubChem CID79370220
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(NCC1CN(C)CCN1C)CC2
InChIInChI=1S/C17H27N3O/c1-19-8-9-20(2)14(12-19)11-18-17-7-5-13-4-6-15(21-3)10-16(13)17/h4,6,10,14,17-18H,5,7-9,11-12H2,1-3H3
InChIKeyDKEPUDSQRTVYJB-UHFFFAOYSA-N
XLogP1.52
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine with MolForge

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Related Compounds

6-methoxy-N-[(1-methylpiperidin-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 79366677
6-methoxy-N-[(4-methylmorpholin-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 79367337
N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115718703
[1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazin-2-yl]methanamine
CID 80504502
ethane;(1R)-6-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 144639263
6-methoxy-N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 79366136
4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 106840756
N-cyclopropyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366110
N-[(4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366842
N-(3-ethoxypropyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79367214
4-[[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenol
CID 115715635
6-methoxy-N-(2-propan-2-yloxyethyl)-2,3-dihydro-1H-inden-1-amine
CID 113429607

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine (CID 79370220) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine is COc1ccc2c(c1)C(NCC1CN(C)CCN1C)CC2.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The InChIKey is DKEPUDSQRTVYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-19-8-9-20(2)14(12-19)11-18-17-7-5-13-4-6-15(21-3)10-16(13)17/h4,6,10,14,17-18H,5,7-9,11-12H2,1-3H3.
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine has a molecular weight of 289.42 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79370220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).