dilithium;hydride;2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine

C15H29Li2N — CID 173212618

IUPACdilithium;hydride;2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine
SMILESCC1=C(C)C(C)C(CCNC(C)(C)C)=C1C.[H-].[H-].[Li+].[Li+]
InChIInChI=1S/C15H27N.2Li.2H/c1-10-11(2)13(4)14(12(10)3)8-9-16-15(5,6)7;;;;/h12,16H,8-9H2,1-7H3;;;;/q;2*+1;2*-1
InChIKeyPCAQDJHOUXBZHT-UHFFFAOYSA-N
MW237.29 g/mol
LogP-1.70
Rot. Bonds3

About dilithium;hydride;2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine

dilithium;hydride;2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine (PubChem CID 173212618) has the molecular formula C15H29Li2N and a molecular weight of 237.29 g/mol. Its IUPAC name is dilithium;hydride;2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Namedilithium;hydride;2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine
PubChem CID173212618
Molecular FormulaC15H29Li2N
Molecular Weight237.29 g/mol
Exact Mass237.26
IUPAC Namedilithium;hydride;2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine
SMILESCC1=C(C)C(C)C(CCNC(C)(C)C)=C1C.[H-].[H-].[Li+].[Li+]
InChIInChI=1S/C15H27N.2Li.2H/c1-10-11(2)13(4)14(12(10)3)8-9-16-15(5,6)7;;;;/h12,16H,8-9H2,1-7H3;;;;/q;2*+1;2*-1
InChIKeyPCAQDJHOUXBZHT-UHFFFAOYSA-N
XLogP-1.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 5-1.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of dilithium;hydride;2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine?
The IUPAC name of dilithium;hydride;2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine (CID 173212618) is dilithium;hydride;2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine.
What is the SMILES notation for dilithium;hydride;2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine?
The canonical SMILES for dilithium;hydride;2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine is CC1=C(C)C(C)C(CCNC(C)(C)C)=C1C.[H-].[H-].[Li+].[Li+].
What is the InChIKey of dilithium;hydride;2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine?
The InChIKey is PCAQDJHOUXBZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N.2Li.2H/c1-10-11(2)13(4)14(12(10)3)8-9-16-15(5,6)7;;;;/h12,16H,8-9H2,1-7H3;;;;/q;2*+1;2*-1.
What are the key properties of dilithium;hydride;2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine?
dilithium;hydride;2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine has a molecular weight of 237.29 g/mol, XLogP of -1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;hydride;2-methyl-N-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]propan-2-amine is sourced from PubChem (CID 173212618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).