N-[(1,4-dimethylpiperazin-2-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine

C18H29N3 — CID 82798101

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCN1CCN(C)C(CNC2c3ccccc3CC2(C)C)C1
InChIInChI=1S/C18H29N3/c1-18(2)11-14-7-5-6-8-16(14)17(18)19-12-15-13-20(3)9-10-21(15)4/h5-8,15,17,19H,9-13H2,1-4H3
InChIKeyDVSQFEXCWIXIGX-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.15
Rot. Bonds3

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine

N-[(1,4-dimethylpiperazin-2-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine (PubChem CID 82798101) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
PubChem CID82798101
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCN1CCN(C)C(CNC2c3ccccc3CC2(C)C)C1
InChIInChI=1S/C18H29N3/c1-18(2)11-14-7-5-6-8-16(14)17(18)19-12-15-13-20(3)9-10-21(15)4/h5-8,15,17,19H,9-13H2,1-4H3
InChIKeyDVSQFEXCWIXIGX-UHFFFAOYSA-N
XLogP2.15
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149381
2,2-dimethyl-N-[(2-methylcyclopentyl)methyl]-1,3-dihydroinden-1-amine
CID 107417554
2,2-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine
CID 115532154
6-chloro-2,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-dihydroinden-1-amine
CID 106023954
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 63897806
2-[[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]phenol
CID 114331575
N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 105415110
N-(2-cyclohexylethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82821544
2,2-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-dihydroinden-1-amine
CID 82798114
N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82821151
2-benzyl-1,4,7-trimethyl-1,4,7-triazonane
CID 19975076
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]methanamine
CID 79222485

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine (CID 82798101) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine is CN1CCN(C)C(CNC2c3ccccc3CC2(C)C)C1.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
The InChIKey is DVSQFEXCWIXIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-18(2)11-14-7-5-6-8-16(14)17(18)19-12-15-13-20(3)9-10-21(15)4/h5-8,15,17,19H,9-13H2,1-4H3.
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine has a molecular weight of 287.45 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine is sourced from PubChem (CID 82798101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).