2-ethyl-N,2-dimethyl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine

C15H28N2S — CID 62256448

IUPAC2-ethyl-N,2-dimethyl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESCCCNCC(C)(CC)CN(C)Cc1cccs1
InChIInChI=1S/C15H28N2S/c1-5-9-16-12-15(3,6-2)13-17(4)11-14-8-7-10-18-14/h7-8,10,16H,5-6,9,11-13H2,1-4H3
InChIKeyYJZWXVPPWCNFTI-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.60
Rot. Bonds9

About 2-ethyl-N,2-dimethyl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine

2-ethyl-N,2-dimethyl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine (PubChem CID 62256448) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is 2-ethyl-N,2-dimethyl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N,2-dimethyl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
PubChem CID62256448
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name2-ethyl-N,2-dimethyl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESCCCNCC(C)(CC)CN(C)Cc1cccs1
InChIInChI=1S/C15H28N2S/c1-5-9-16-12-15(3,6-2)13-17(4)11-14-8-7-10-18-14/h7-8,10,16H,5-6,9,11-13H2,1-4H3
InChIKeyYJZWXVPPWCNFTI-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,2-diethyl-2-methyl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62259654
N,N',2-trimethyl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 55051533
2-ethyl-N,2-dimethyl-N'-propyl-N-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 62257313
2,2-dimethyl-N-propan-2-yl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62258945
N-[(3-bromophenyl)methyl]-2-ethyl-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 63494839
1-[methyl(thiophen-2-ylmethyl)amino]-3-(propylamino)propan-2-ol
CID 43527489
2,2-diethyl-N,N'-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62258016
N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62420227
2,2-diethyl-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 63773575
N-[[2-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62421351
2-ethyl-N,2-dimethyl-N-phenyl-N'-propylpropane-1,3-diamine
CID 62261498
1-(dimethylamino)-2-methyl-3-(2-thiophen-2-ylethylamino)propan-2-ol
CID 106147667

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,2-dimethyl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of 2-ethyl-N,2-dimethyl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine (CID 62256448) is 2-ethyl-N,2-dimethyl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N,2-dimethyl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for 2-ethyl-N,2-dimethyl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine is CCCNCC(C)(CC)CN(C)Cc1cccs1.
What is the InChIKey of 2-ethyl-N,2-dimethyl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine?
The InChIKey is YJZWXVPPWCNFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-5-9-16-12-15(3,6-2)13-17(4)11-14-8-7-10-18-14/h7-8,10,16H,5-6,9,11-13H2,1-4H3.
What are the key properties of 2-ethyl-N,2-dimethyl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine?
2-ethyl-N,2-dimethyl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine has a molecular weight of 268.47 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,2-dimethyl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 62256448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).