2-N-methyl-2-N-pentan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine

C14H26N2S — CID 55087404

IUPAC2-N-methyl-2-N-pentan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
SMILESCCCC(C)N(C)C(C)CNCc1cccs1
InChIInChI=1S/C14H26N2S/c1-5-7-12(2)16(4)13(3)10-15-11-14-8-6-9-17-14/h6,8-9,12-13,15H,5,7,10-11H2,1-4H3
InChIKeyAPRCCGDTLDIEQU-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.35
Rot. Bonds8

About 2-N-methyl-2-N-pentan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine

2-N-methyl-2-N-pentan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine (PubChem CID 55087404) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 2-N-methyl-2-N-pentan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-pentan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
PubChem CID55087404
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name2-N-methyl-2-N-pentan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
SMILESCCCC(C)N(C)C(C)CNCc1cccs1
InChIInChI=1S/C14H26N2S/c1-5-7-12(2)16(4)13(3)10-15-11-14-8-6-9-17-14/h6,8-9,12-13,15H,5,7,10-11H2,1-4H3
InChIKeyAPRCCGDTLDIEQU-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-methyl-2-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62558151
2-N-methyl-2-N-propyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62568611
2-N-methyl-2-N-(2-thiophen-2-ylethyl)-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 79494883
3-N-methyl-1-N-propyl-3-N-(1-thiophen-2-ylpropan-2-yl)butane-1,3-diamine
CID 79493690
2-N-(cyclopropylmethyl)-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62569378
1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 61150337
2-N-methyl-2-N-(2-propan-2-yloxyethyl)-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 81068790
2-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62568663
1-N,2-N-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
CID 83054060
2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62569823
3-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 61150339
2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
CID 79476562

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-pentan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-pentan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine (CID 55087404) is 2-N-methyl-2-N-pentan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-pentan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-pentan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine is CCCC(C)N(C)C(C)CNCc1cccs1.
What is the InChIKey of 2-N-methyl-2-N-pentan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The InChIKey is APRCCGDTLDIEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-5-7-12(2)16(4)13(3)10-15-11-14-8-6-9-17-14/h6,8-9,12-13,15H,5,7,10-11H2,1-4H3.
What are the key properties of 2-N-methyl-2-N-pentan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
2-N-methyl-2-N-pentan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine has a molecular weight of 254.44 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-pentan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 55087404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).