N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine

C11H26N2S — CID 112661159

IUPACN',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine
SMILESCSCC(C)N(C)CCCC(C)CN
InChIInChI=1S/C11H26N2S/c1-10(8-12)6-5-7-13(3)11(2)9-14-4/h10-11H,5-9,12H2,1-4H3
InChIKeyFJXGVELRFNIOAR-UHFFFAOYSA-N
MW218.41 g/mol
LogP2.04
Rot. Bonds8

About N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine

N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine (PubChem CID 112661159) has the molecular formula C11H26N2S and a molecular weight of 218.41 g/mol. Its IUPAC name is N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine.

Molecular Properties

Compound NameN',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine
PubChem CID112661159
Molecular FormulaC11H26N2S
Molecular Weight218.41 g/mol
Exact Mass218.18
IUPAC NameN',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine
SMILESCSCC(C)N(C)CCCC(C)CN
InChIInChI=1S/C11H26N2S/c1-10(8-12)6-5-7-13(3)11(2)9-14-4/h10-11H,5-9,12H2,1-4H3
InChIKeyFJXGVELRFNIOAR-UHFFFAOYSA-N
XLogP2.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylbutane-1,4-diamine
CID 112661233
2-methyl-N'-propan-2-yl-N'-propylpentane-1,5-diamine
CID 82682516
6-[methyl(1-methylsulfanylpropan-2-yl)amino]hexane-1-thiol
CID 112667562
N,N'-dimethyl-N'-(1-methylsulfanylpropan-2-yl)butane-1,4-diamine
CID 112661084
N-methyl-N-(1-methylsulfanylpropan-2-yl)pent-4-yn-1-amine
CID 115873128
N'-[3-(dimethylamino)propyl]-N',2-dimethylpentane-1,5-diamine
CID 82017008
1-amino-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol
CID 112658794
6-[methyl(1-methylsulfanylpropan-2-yl)amino]hexanoic acid
CID 112661582
methyl 4-[methyl(1-methylsulfanylpropan-2-yl)amino]butanoate
CID 112692200
2-N-[3-(dimethylamino)propyl]-2-N-methylpropane-1,2-diamine
CID 63693592
N'-ethyl-N',2-dimethylbutane-1,4-diamine
CID 81079542
2-methoxy-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 106114990

Frequently Asked Questions

What is the IUPAC name of N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine?
The IUPAC name of N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine (CID 112661159) is N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine.
What is the SMILES notation for N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine?
The canonical SMILES for N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine is CSCC(C)N(C)CCCC(C)CN.
What is the InChIKey of N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine?
The InChIKey is FJXGVELRFNIOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2S/c1-10(8-12)6-5-7-13(3)11(2)9-14-4/h10-11H,5-9,12H2,1-4H3.
What are the key properties of N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine?
N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine has a molecular weight of 218.41 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine is sourced from PubChem (CID 112661159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).