2-N,2,3-trimethyl-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine

C14H26N2S — CID 114275023

IUPAC2-N,2,3-trimethyl-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine
SMILESCCC(C)C(C)(CN)N(C)CCc1cccs1
InChIInChI=1S/C14H26N2S/c1-5-12(2)14(3,11-15)16(4)9-8-13-7-6-10-17-13/h6-7,10,12H,5,8-9,11,15H2,1-4H3
InChIKeyVRTPETKLHPCJFR-UHFFFAOYSA-N
MW254.44 g/mol
LogP2.99
Rot. Bonds7

About 2-N,2,3-trimethyl-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine

2-N,2,3-trimethyl-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine (PubChem CID 114275023) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 2-N,2,3-trimethyl-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N,2,3-trimethyl-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine
PubChem CID114275023
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name2-N,2,3-trimethyl-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine
SMILESCCC(C)C(C)(CN)N(C)CCc1cccs1
InChIInChI=1S/C14H26N2S/c1-5-12(2)14(3,11-15)16(4)9-8-13-7-6-10-17-13/h6-7,10,12H,5,8-9,11,15H2,1-4H3
InChIKeyVRTPETKLHPCJFR-UHFFFAOYSA-N
XLogP2.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,2-dimethyl-2-N-(2-thiophen-2-ylethyl)nonane-1,2-diamine
CID 79476491
2,2-dimethyl-N'-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
CID 79661594
2-N,3-dimethyl-2-N-(2-thiophen-2-ylethyl)hexane-1,2-diamine
CID 79476641
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
CID 79494546
3,3,3-trifluoro-2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine
CID 79475884
2-N-methyl-2-N-(2-thiophen-2-ylethyl)-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 79494883
1-N-tert-butyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)butane-1,2-diamine
CID 79494868
2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)butanamide
CID 79493734
2-N-ethyl-3,3-dimethoxy-2-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 66180831
(2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 94254566
N',2,2-trimethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 65247464

Frequently Asked Questions

What is the IUPAC name of 2-N,2,3-trimethyl-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine?
The IUPAC name of 2-N,2,3-trimethyl-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine (CID 114275023) is 2-N,2,3-trimethyl-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine.
What is the SMILES notation for 2-N,2,3-trimethyl-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine?
The canonical SMILES for 2-N,2,3-trimethyl-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine is CCC(C)C(C)(CN)N(C)CCc1cccs1.
What is the InChIKey of 2-N,2,3-trimethyl-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine?
The InChIKey is VRTPETKLHPCJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-5-12(2)14(3,11-15)16(4)9-8-13-7-6-10-17-13/h6-7,10,12H,5,8-9,11,15H2,1-4H3.
What are the key properties of 2-N,2,3-trimethyl-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine?
2-N,2,3-trimethyl-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine has a molecular weight of 254.44 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2,3-trimethyl-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine is sourced from PubChem (CID 114275023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).