2-N,2-N-dimethyl-1-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propane-1,2-diamine

C16H26N2 — CID 81344254

IUPAC2-N,2-N-dimethyl-1-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propane-1,2-diamine
SMILESCC1CCC(NCC(C)N(C)C)c2ccccc21
InChIInChI=1S/C16H26N2/c1-12-9-10-16(17-11-13(2)18(3)4)15-8-6-5-7-14(12)15/h5-8,12-13,16-17H,9-11H2,1-4H3
InChIKeyIYAZNOFCSFYQLN-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.16
Rot. Bonds4

About 2-N,2-N-dimethyl-1-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propane-1,2-diamine

2-N,2-N-dimethyl-1-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propane-1,2-diamine (PubChem CID 81344254) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-1-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-1-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propane-1,2-diamine
PubChem CID81344254
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-N,2-N-dimethyl-1-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propane-1,2-diamine
SMILESCC1CCC(NCC(C)N(C)C)c2ccccc21
InChIInChI=1S/C16H26N2/c1-12-9-10-16(17-11-13(2)18(3)4)15-8-6-5-7-14(12)15/h5-8,12-13,16-17H,9-11H2,1-4H3
InChIKeyIYAZNOFCSFYQLN-UHFFFAOYSA-N
XLogP3.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-1-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propane-1,2-diamine?
The IUPAC name of 2-N,2-N-dimethyl-1-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propane-1,2-diamine (CID 81344254) is 2-N,2-N-dimethyl-1-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-1-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-1-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propane-1,2-diamine is CC1CCC(NCC(C)N(C)C)c2ccccc21.
What is the InChIKey of 2-N,2-N-dimethyl-1-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propane-1,2-diamine?
The InChIKey is IYAZNOFCSFYQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-9-10-16(17-11-13(2)18(3)4)15-8-6-5-7-14(12)15/h5-8,12-13,16-17H,9-11H2,1-4H3.
What are the key properties of 2-N,2-N-dimethyl-1-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propane-1,2-diamine?
2-N,2-N-dimethyl-1-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-1-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propane-1,2-diamine is sourced from PubChem (CID 81344254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).