N,2-dimethyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine

C12H22N2S — CID 104681857

IUPACN,2-dimethyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine
SMILESCC(CCCN)CN(C)Cc1cccs1
InChIInChI=1S/C12H22N2S/c1-11(5-3-7-13)9-14(2)10-12-6-4-8-15-12/h4,6,8,11H,3,5,7,9-10,13H2,1-2H3
InChIKeyNKDVFFGVMNIORN-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.55
Rot. Bonds7

About N,2-dimethyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine

N,2-dimethyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine (PubChem CID 104681857) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N,2-dimethyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN,2-dimethyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine
PubChem CID104681857
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN,2-dimethyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine
SMILESCC(CCCN)CN(C)Cc1cccs1
InChIInChI=1S/C12H22N2S/c1-11(5-3-7-13)9-14(2)10-12-6-4-8-15-12/h4,6,8,11H,3,5,7,9-10,13H2,1-2H3
InChIKeyNKDVFFGVMNIORN-UHFFFAOYSA-N
XLogP2.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine
CID 113440590
N,2-dimethyl-N'-propan-2-yl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62420411
2-ethyl-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 65228216
1-N-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 43649767
1-N-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 43650477
N'-propan-2-yl-N'-(thiophen-2-ylmethyl)hexane-1,6-diamine
CID 54946840
2-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 81079321
N'-[(2R)-butan-2-yl]-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 92864149
(2R)-1-[methyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 129369879
3-methyl-5-thiophen-2-ylpentan-1-amine
CID 65300701
1-N-methyl-4-phenyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 114929524
N'-methyl-N'-(2-thiophen-2-ylethyl)heptane-1,7-diamine
CID 79488346

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine?
The IUPAC name of N,2-dimethyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine (CID 104681857) is N,2-dimethyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine.
What is the SMILES notation for N,2-dimethyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine?
The canonical SMILES for N,2-dimethyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine is CC(CCCN)CN(C)Cc1cccs1.
What is the InChIKey of N,2-dimethyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine?
The InChIKey is NKDVFFGVMNIORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-11(5-3-7-13)9-14(2)10-12-6-4-8-15-12/h4,6,8,11H,3,5,7,9-10,13H2,1-2H3.
What are the key properties of N,2-dimethyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine?
N,2-dimethyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine has a molecular weight of 226.39 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine is sourced from PubChem (CID 104681857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).