2-N,2-N,3-trimethyl-1-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butane-1,2-diamine

C17H28N2 — CID 43434687

IUPAC2-N,2-N,3-trimethyl-1-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butane-1,2-diamine
SMILESCC(C)C(CNC1CCc2ccccc2C1)N(C)C
InChIInChI=1S/C17H28N2/c1-13(2)17(19(3)4)12-18-16-10-9-14-7-5-6-8-15(14)11-16/h5-8,13,16-18H,9-12H2,1-4H3
InChIKeyAMODEFQFDFQFKG-UHFFFAOYSA-N
MW260.43 g/mol
LogP2.72
Rot. Bonds5

About 2-N,2-N,3-trimethyl-1-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butane-1,2-diamine

2-N,2-N,3-trimethyl-1-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butane-1,2-diamine (PubChem CID 43434687) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-N,2-N,3-trimethyl-1-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,3-trimethyl-1-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butane-1,2-diamine
PubChem CID43434687
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-N,2-N,3-trimethyl-1-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butane-1,2-diamine
SMILESCC(C)C(CNC1CCc2ccccc2C1)N(C)C
InChIInChI=1S/C17H28N2/c1-13(2)17(19(3)4)12-18-16-10-9-14-7-5-6-8-15(14)11-16/h5-8,13,16-18H,9-12H2,1-4H3
InChIKeyAMODEFQFDFQFKG-UHFFFAOYSA-N
XLogP2.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-N,2-N,3-trimethyl-1-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butane-1,2-diamine with MolForge

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Related Compounds

1-(dimethylamino)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol
CID 62305455
2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanamide
CID 62305780
1-N,1-N-dimethyl-2-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propane-1,2-diamine
CID 82944891
N-(2-ethylhexyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43222596
N-(cyclobutylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43775224
4-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]cyclohexan-1-ol
CID 106127210
1-N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 63626053
N-(3-propan-2-ylcyclobutyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 103561864
1-N-cyclohexyl-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205547
1-(2-methoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol
CID 14751044
N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43223105
2-N,2-N,3-trimethyl-1-N-(4-methylcyclohexyl)butane-1,2-diamine
CID 43205434

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,3-trimethyl-1-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butane-1,2-diamine?
The IUPAC name of 2-N,2-N,3-trimethyl-1-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butane-1,2-diamine (CID 43434687) is 2-N,2-N,3-trimethyl-1-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,3-trimethyl-1-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butane-1,2-diamine?
The canonical SMILES for 2-N,2-N,3-trimethyl-1-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butane-1,2-diamine is CC(C)C(CNC1CCc2ccccc2C1)N(C)C.
What is the InChIKey of 2-N,2-N,3-trimethyl-1-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butane-1,2-diamine?
The InChIKey is AMODEFQFDFQFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13(2)17(19(3)4)12-18-16-10-9-14-7-5-6-8-15(14)11-16/h5-8,13,16-18H,9-12H2,1-4H3.
What are the key properties of 2-N,2-N,3-trimethyl-1-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butane-1,2-diamine?
2-N,2-N,3-trimethyl-1-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butane-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,3-trimethyl-1-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butane-1,2-diamine is sourced from PubChem (CID 43434687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).