2-ethyl-N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine

C16H26N2 — CID 115254752

IUPAC2-ethyl-N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
SMILESCCC(CNC)CNc1ccc2c(c1)CCCC2
InChIInChI=1S/C16H26N2/c1-3-13(11-17-2)12-18-16-9-8-14-6-4-5-7-15(14)10-16/h8-10,13,17-18H,3-7,11-12H2,1-2H3
InChIKeyHYASMJWBGNRIBS-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.22
Rot. Bonds6

About 2-ethyl-N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine

2-ethyl-N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine (PubChem CID 115254752) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-ethyl-N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
PubChem CID115254752
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-ethyl-N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
SMILESCCC(CNC)CNc1ccc2c(c1)CCCC2
InChIInChI=1S/C16H26N2/c1-3-13(11-17-2)12-18-16-9-8-14-6-4-5-7-15(14)10-16/h8-10,13,17-18H,3-7,11-12H2,1-2H3
InChIKeyHYASMJWBGNRIBS-UHFFFAOYSA-N
XLogP3.22
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanediamine
CID 115226489
2-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 115198218
N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 115197636
3-(5,6,7,8-tetrahydronaphthalen-2-ylamino)propane-1,2-diol
CID 115121860
2-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine
CID 115202278
2-[(5,6,7,8-tetrahydronaphthalen-2-ylamino)methyl]pent-4-yn-1-ol
CID 21470445
N-[[4-(methylamino)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115212622
3-(2,3-dihydro-1H-inden-5-ylamino)-2-(methylamino)propanoic acid
CID 115255887
N-(bromomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115261521
1-(diethylamino)-3-(2,3-dihydro-1H-inden-5-ylamino)propan-2-ol
CID 60898879
2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-3-methylbutan-1-ol
CID 115251818
3-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanamide
CID 43312074

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine?
The IUPAC name of 2-ethyl-N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine (CID 115254752) is 2-ethyl-N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine?
The canonical SMILES for 2-ethyl-N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine is CCC(CNC)CNc1ccc2c(c1)CCCC2.
What is the InChIKey of 2-ethyl-N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine?
The InChIKey is HYASMJWBGNRIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-13(11-17-2)12-18-16-9-8-14-6-4-5-7-15(14)10-16/h8-10,13,17-18H,3-7,11-12H2,1-2H3.
What are the key properties of 2-ethyl-N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine?
2-ethyl-N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine is sourced from PubChem (CID 115254752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).