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

C14H22N2 — CID 115198218

IUPAC2-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
SMILESCC(CN)CNc1ccc2c(c1)CCCC2
InChIInChI=1S/C14H22N2/c1-11(9-15)10-16-14-7-6-12-4-2-3-5-13(12)8-14/h6-8,11,16H,2-5,9-10,15H2,1H3
InChIKeyOWUYMOUETNPNMB-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.57
Rot. Bonds4

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

2-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine (PubChem CID 115198218) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
PubChem CID115198218
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
SMILESCC(CN)CNc1ccc2c(c1)CCCC2
InChIInChI=1S/C14H22N2/c1-11(9-15)10-16-14-7-6-12-4-2-3-5-13(12)8-14/h6-8,11,16H,2-5,9-10,15H2,1H3
InChIKeyOWUYMOUETNPNMB-UHFFFAOYSA-N
XLogP2.57
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine
CID 115202278
N'-(3,4-dihydro-2H-thiochromen-6-yl)-2-methylpropane-1,3-diamine
CID 115198310
N'-(5,6,7,8-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 82490968
3-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanamide
CID 43312074
3-(5,6,7,8-tetrahydronaphthalen-2-ylamino)propane-1,2-diol
CID 115121860
2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-3-methylbutan-1-ol
CID 115251818
2-ethyl-N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 115254752
N-(bromomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115261521
N'-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanediamine
CID 115226489
N'-(4-chloro-3-fluorophenyl)-2-methylpropane-1,3-diamine
CID 130604425
N,N,3-trimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine
CID 116905443
N-[[4-(methylamino)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115212622

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine?
The IUPAC name of 2-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine (CID 115198218) is 2-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine.
What is the SMILES notation for 2-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine?
The canonical SMILES for 2-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine is CC(CN)CNc1ccc2c(c1)CCCC2.
What is the InChIKey of 2-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine?
The InChIKey is OWUYMOUETNPNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11(9-15)10-16-14-7-6-12-4-2-3-5-13(12)8-14/h6-8,11,16H,2-5,9-10,15H2,1H3.
What are the key properties of 2-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine?
2-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine has a molecular weight of 218.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine is sourced from PubChem (CID 115198218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).