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

C12H22N2S — CID 62568611

IUPAC2-N-methyl-2-N-propyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
SMILESCCCN(C)C(C)CNCc1cccs1
InChIInChI=1S/C12H22N2S/c1-4-7-14(3)11(2)9-13-10-12-6-5-8-15-12/h5-6,8,11,13H,4,7,9-10H2,1-3H3
InChIKeyUWPMEUVAHKFMLF-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.57
Rot. Bonds7

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

2-N-methyl-2-N-propyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine (PubChem CID 62568611) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 2-N-methyl-2-N-propyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-propyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
PubChem CID62568611
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name2-N-methyl-2-N-propyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
SMILESCCCN(C)C(C)CNCc1cccs1
InChIInChI=1S/C12H22N2S/c1-4-7-14(3)11(2)9-13-10-12-6-5-8-15-12/h5-6,8,11,13H,4,7,9-10H2,1-3H3
InChIKeyUWPMEUVAHKFMLF-UHFFFAOYSA-N
XLogP2.57
TPSA15.27 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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-methyl-2-N-(2-thiophen-2-ylethyl)-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 79494883
2-N-methyl-2-N-(2-propan-2-yloxyethyl)-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 81068790
2-N-methyl-2-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62558151
2-N-methyl-2-N-pentan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 55087404
2-N-(cyclopropylmethyl)-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62569378
2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62569823
2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
CID 79494546
2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62570531
1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 61150337
2-N-[3-(diethylamino)propyl]-2-N-ethyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 102997888
2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 79312950
2-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62568663

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-propyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-propyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine (CID 62568611) is 2-N-methyl-2-N-propyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-propyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-propyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine is CCCN(C)C(C)CNCc1cccs1.
What is the InChIKey of 2-N-methyl-2-N-propyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The InChIKey is UWPMEUVAHKFMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-4-7-14(3)11(2)9-13-10-12-6-5-8-15-12/h5-6,8,11,13H,4,7,9-10H2,1-3H3.
What are the key properties of 2-N-methyl-2-N-propyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
2-N-methyl-2-N-propyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine has a molecular weight of 226.39 g/mol, XLogP of 2.57, 7 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-propyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 62568611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).