N',2,2-trimethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine

C12H22N2S — CID 65247464

IUPACN',2,2-trimethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
SMILESCN(CCC(C)(C)CN)Cc1cccs1
InChIInChI=1S/C12H22N2S/c1-12(2,10-13)6-7-14(3)9-11-5-4-8-15-11/h4-5,8H,6-7,9-10,13H2,1-3H3
InChIKeyZVXDUQAXJYUJKP-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.55
Rot. Bonds6

About N',2,2-trimethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine

N',2,2-trimethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine (PubChem CID 65247464) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N',2,2-trimethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine.

Molecular Properties

Compound NameN',2,2-trimethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
PubChem CID65247464
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN',2,2-trimethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
SMILESCN(CCC(C)(C)CN)Cc1cccs1
InChIInChI=1S/C12H22N2S/c1-12(2,10-13)6-7-14(3)9-11-5-4-8-15-11/h4-5,8H,6-7,9-10,13H2,1-3H3
InChIKeyZVXDUQAXJYUJKP-UHFFFAOYSA-N
XLogP2.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

2,2-dimethyl-4-[methyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 65247891
2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine
CID 65254528
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 79652724
N-methyl-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 123818114
4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one
CID 60648007
1-amino-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-one
CID 112708944
2,2-dimethyl-5-[methyl(thiophen-2-ylmethyl)amino]pentanimidamide
CID 65259252
3-amino-N,2,2-trimethyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119681753
N'-[(3-chlorophenyl)methyl]-N',2,2-trimethylbutane-1,4-diamine
CID 65247254
4-bromo-N-methyl-N-(thiophen-2-ylmethyl)butan-1-amine
CID 61287126
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-thiophen-2-ylacetamide
CID 79653255
N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62261097

Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine?
The IUPAC name of N',2,2-trimethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine (CID 65247464) is N',2,2-trimethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine.
What is the SMILES notation for N',2,2-trimethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine?
The canonical SMILES for N',2,2-trimethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine is CN(CCC(C)(C)CN)Cc1cccs1.
What is the InChIKey of N',2,2-trimethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine?
The InChIKey is ZVXDUQAXJYUJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-12(2,10-13)6-7-14(3)9-11-5-4-8-15-11/h4-5,8H,6-7,9-10,13H2,1-3H3.
What are the key properties of N',2,2-trimethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine?
N',2,2-trimethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine has a molecular weight of 226.39 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine is sourced from PubChem (CID 65247464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).