N,N'-dimethyl-N,N'-di(propan-2-yl)ethane-1,2-diamine;1,4-di(propan-2-yl)piperazine;N-methyl-N-(2-propan-2-ylsulfanylethyl)propan-2-amine

C29H67N5S — CID 167612038

IUPACN,N'-dimethyl-N,N'-di(propan-2-yl)ethane-1,2-diamine;1,4-di(propan-2-yl)piperazine;N-methyl-N-(2-propan-2-ylsulfanylethyl)propan-2-amine
SMILESCC(C)N(C)CCN(C)C(C)C.CC(C)N1CCN(C(C)C)CC1.CC(C)SCCN(C)C(C)C
InChIInChI=1S/C10H22N2.C10H24N2.C9H21NS/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11(5)7-8-12(6)10(3)4;1-8(2)10(5)6-7-11-9(3)4/h9-10H,5-8H2,1-4H3;9-10H,7-8H2,1-6H3;8-9H,6-7H2,1-5H3
InChIKeyLESAWDVGMKXNFB-UHFFFAOYSA-N
MW517.96 g/mol
LogP5.56
Rot. Bonds12

About N,N'-dimethyl-N,N'-di(propan-2-yl)ethane-1,2-diamine;1,4-di(propan-2-yl)piperazine;N-methyl-N-(2-propan-2-ylsulfanylethyl)propan-2-amine

N,N'-dimethyl-N,N'-di(propan-2-yl)ethane-1,2-diamine;1,4-di(propan-2-yl)piperazine;N-methyl-N-(2-propan-2-ylsulfanylethyl)propan-2-amine (PubChem CID 167612038) has the molecular formula C29H67N5S and a molecular weight of 517.96 g/mol. Its IUPAC name is N,N'-dimethyl-N,N'-di(propan-2-yl)ethane-1,2-diamine;1,4-di(propan-2-yl)piperazine;N-methyl-N-(2-propan-2-ylsulfanylethyl)propan-2-amine.

Molecular Properties

Compound NameN,N'-dimethyl-N,N'-di(propan-2-yl)ethane-1,2-diamine;1,4-di(propan-2-yl)piperazine;N-methyl-N-(2-propan-2-ylsulfanylethyl)propan-2-amine
PubChem CID167612038
Molecular FormulaC29H67N5S
Molecular Weight517.96 g/mol
Exact Mass517.51
IUPAC NameN,N'-dimethyl-N,N'-di(propan-2-yl)ethane-1,2-diamine;1,4-di(propan-2-yl)piperazine;N-methyl-N-(2-propan-2-ylsulfanylethyl)propan-2-amine
SMILESCC(C)N(C)CCN(C)C(C)C.CC(C)N1CCN(C(C)C)CC1.CC(C)SCCN(C)C(C)C
InChIInChI=1S/C10H22N2.C10H24N2.C9H21NS/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11(5)7-8-12(6)10(3)4;1-8(2)10(5)6-7-11-9(3)4/h9-10H,5-8H2,1-4H3;9-10H,7-8H2,1-6H3;8-9H,6-7H2,1-5H3
InChIKeyLESAWDVGMKXNFB-UHFFFAOYSA-N
XLogP5.56
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.96
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N'-dimethyl-N,N'-di(propan-2-yl)ethane-1,2-diamine;1,4-di(propan-2-yl)piperazine;N-methyl-N-(2-propan-2-ylsulfanylethyl)propan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N,N'-di(propan-2-yl)ethane-1,2-diamine;1,4-di(propan-2-yl)piperazine;N-methyl-N-(2-propan-2-ylsulfanylethyl)propan-2-amine?
The IUPAC name of N,N'-dimethyl-N,N'-di(propan-2-yl)ethane-1,2-diamine;1,4-di(propan-2-yl)piperazine;N-methyl-N-(2-propan-2-ylsulfanylethyl)propan-2-amine (CID 167612038) is N,N'-dimethyl-N,N'-di(propan-2-yl)ethane-1,2-diamine;1,4-di(propan-2-yl)piperazine;N-methyl-N-(2-propan-2-ylsulfanylethyl)propan-2-amine.
What is the SMILES notation for N,N'-dimethyl-N,N'-di(propan-2-yl)ethane-1,2-diamine;1,4-di(propan-2-yl)piperazine;N-methyl-N-(2-propan-2-ylsulfanylethyl)propan-2-amine?
The canonical SMILES for N,N'-dimethyl-N,N'-di(propan-2-yl)ethane-1,2-diamine;1,4-di(propan-2-yl)piperazine;N-methyl-N-(2-propan-2-ylsulfanylethyl)propan-2-amine is CC(C)N(C)CCN(C)C(C)C.CC(C)N1CCN(C(C)C)CC1.CC(C)SCCN(C)C(C)C.
What is the InChIKey of N,N'-dimethyl-N,N'-di(propan-2-yl)ethane-1,2-diamine;1,4-di(propan-2-yl)piperazine;N-methyl-N-(2-propan-2-ylsulfanylethyl)propan-2-amine?
The InChIKey is LESAWDVGMKXNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2.C10H24N2.C9H21NS/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11(5)7-8-12(6)10(3)4;1-8(2)10(5)6-7-11-9(3)4/h9-10H,5-8H2,1-4H3;9-10H,7-8H2,1-6H3;8-9H,6-7H2,1-5H3.
What are the key properties of N,N'-dimethyl-N,N'-di(propan-2-yl)ethane-1,2-diamine;1,4-di(propan-2-yl)piperazine;N-methyl-N-(2-propan-2-ylsulfanylethyl)propan-2-amine?
N,N'-dimethyl-N,N'-di(propan-2-yl)ethane-1,2-diamine;1,4-di(propan-2-yl)piperazine;N-methyl-N-(2-propan-2-ylsulfanylethyl)propan-2-amine has a molecular weight of 517.96 g/mol, XLogP of 5.56, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N,N'-di(propan-2-yl)ethane-1,2-diamine;1,4-di(propan-2-yl)piperazine;N-methyl-N-(2-propan-2-ylsulfanylethyl)propan-2-amine is sourced from PubChem (CID 167612038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).