1-N,1-N,3-trimethyl-2-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)butane-1,2-diamine

C17H28N2 — CID 81327422

IUPAC1-N,1-N,3-trimethyl-2-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)butane-1,2-diamine
SMILESCc1ccc2c(c1)C(NC(CN(C)C)C(C)C)CC2
InChIInChI=1S/C17H28N2/c1-12(2)17(11-19(4)5)18-16-9-8-14-7-6-13(3)10-15(14)16/h6-7,10,12,16-18H,8-9,11H2,1-5H3
InChIKeyVUIKRJOQMDOQPJ-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.16
Rot. Bonds5

About 1-N,1-N,3-trimethyl-2-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)butane-1,2-diamine

1-N,1-N,3-trimethyl-2-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)butane-1,2-diamine (PubChem CID 81327422) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-N,1-N,3-trimethyl-2-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,3-trimethyl-2-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)butane-1,2-diamine
PubChem CID81327422
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-N,1-N,3-trimethyl-2-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)butane-1,2-diamine
SMILESCc1ccc2c(c1)C(NC(CN(C)C)C(C)C)CC2
InChIInChI=1S/C17H28N2/c1-12(2)17(11-19(4)5)18-16-9-8-14-7-6-13(3)10-15(14)16/h6-7,10,12,16-18H,8-9,11H2,1-5H3
InChIKeyVUIKRJOQMDOQPJ-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-trimethyl-2-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)butane-1,2-diamine?
The IUPAC name of 1-N,1-N,3-trimethyl-2-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)butane-1,2-diamine (CID 81327422) is 1-N,1-N,3-trimethyl-2-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)butane-1,2-diamine.
What is the SMILES notation for 1-N,1-N,3-trimethyl-2-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)butane-1,2-diamine?
The canonical SMILES for 1-N,1-N,3-trimethyl-2-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)butane-1,2-diamine is Cc1ccc2c(c1)C(NC(CN(C)C)C(C)C)CC2.
What is the InChIKey of 1-N,1-N,3-trimethyl-2-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)butane-1,2-diamine?
The InChIKey is VUIKRJOQMDOQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-12(2)17(11-19(4)5)18-16-9-8-14-7-6-13(3)10-15(14)16/h6-7,10,12,16-18H,8-9,11H2,1-5H3.
What are the key properties of 1-N,1-N,3-trimethyl-2-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)butane-1,2-diamine?
1-N,1-N,3-trimethyl-2-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)butane-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-trimethyl-2-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)butane-1,2-diamine is sourced from PubChem (CID 81327422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).