N-[[1-(2-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine

C19H31N — CID 63502125

IUPACN-[[1-(2-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine
SMILESCCC(C)CC1(CNC(C)C)CCCc2ccccc21
InChIInChI=1S/C19H31N/c1-5-16(4)13-19(14-20-15(2)3)12-8-10-17-9-6-7-11-18(17)19/h6-7,9,11,15-16,20H,5,8,10,12-14H2,1-4H3
InChIKeyWVPVWABEAWBLTI-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.69
Rot. Bonds6

About N-[[1-(2-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine

N-[[1-(2-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine (PubChem CID 63502125) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-[[1-(2-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine
PubChem CID63502125
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-[[1-(2-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine
SMILESCCC(C)CC1(CNC(C)C)CCCc2ccccc21
InChIInChI=1S/C19H31N/c1-5-16(4)13-19(14-20-15(2)3)12-8-10-17-9-6-7-11-18(17)19/h6-7,9,11,15-16,20H,5,8,10,12-14H2,1-4H3
InChIKeyWVPVWABEAWBLTI-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine (CID 63502125) is N-[[1-(2-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine is CCC(C)CC1(CNC(C)C)CCCc2ccccc21.
What is the InChIKey of N-[[1-(2-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine?
The InChIKey is WVPVWABEAWBLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-5-16(4)13-19(14-20-15(2)3)12-8-10-17-9-6-7-11-18(17)19/h6-7,9,11,15-16,20H,5,8,10,12-14H2,1-4H3.
What are the key properties of N-[[1-(2-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine?
N-[[1-(2-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine has a molecular weight of 273.46 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]propan-2-amine is sourced from PubChem (CID 63502125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).