N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-4-methylpiperazin-1-amine

C17H27N3 — CID 83010508

IUPACN-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-4-methylpiperazin-1-amine
SMILESCN1CCN(NC2c3ccccc3CCC2(C)C)CC1
InChIInChI=1S/C17H27N3/c1-17(2)9-8-14-6-4-5-7-15(14)16(17)18-20-12-10-19(3)11-13-20/h4-7,16,18H,8-13H2,1-3H3
InChIKeySEWTZUMKSSIEFW-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.45
Rot. Bonds2

About N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-4-methylpiperazin-1-amine

N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-4-methylpiperazin-1-amine (PubChem CID 83010508) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-4-methylpiperazin-1-amine
PubChem CID83010508
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-4-methylpiperazin-1-amine
SMILESCN1CCN(NC2c3ccccc3CCC2(C)C)CC1
InChIInChI=1S/C17H27N3/c1-17(2)9-8-14-6-4-5-7-15(14)16(17)18-20-12-10-19(3)11-13-20/h4-7,16,18H,8-13H2,1-3H3
InChIKeySEWTZUMKSSIEFW-UHFFFAOYSA-N
XLogP2.45
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-4-methylpiperazin-1-amine?
The IUPAC name of N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-4-methylpiperazin-1-amine (CID 83010508) is N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-4-methylpiperazin-1-amine.
What is the SMILES notation for N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-4-methylpiperazin-1-amine?
The canonical SMILES for N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-4-methylpiperazin-1-amine is CN1CCN(NC2c3ccccc3CCC2(C)C)CC1.
What is the InChIKey of N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-4-methylpiperazin-1-amine?
The InChIKey is SEWTZUMKSSIEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-17(2)9-8-14-6-4-5-7-15(14)16(17)18-20-12-10-19(3)11-13-20/h4-7,16,18H,8-13H2,1-3H3.
What are the key properties of N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-4-methylpiperazin-1-amine?
N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-4-methylpiperazin-1-amine has a molecular weight of 273.42 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-4-methylpiperazin-1-amine is sourced from PubChem (CID 83010508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).