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

C16H30N2S — CID 62257313

IUPAC2-ethyl-N,2-dimethyl-N'-propyl-N-(1-thiophen-2-ylethyl)propane-1,3-diamine
SMILESCCCNCC(C)(CC)CN(C)C(C)c1cccs1
InChIInChI=1S/C16H30N2S/c1-6-10-17-12-16(4,7-2)13-18(5)14(3)15-9-8-11-19-15/h8-9,11,14,17H,6-7,10,12-13H2,1-5H3
InChIKeyRKBDQNSTOREZSA-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.16
Rot. Bonds9

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

2-ethyl-N,2-dimethyl-N'-propyl-N-(1-thiophen-2-ylethyl)propane-1,3-diamine (PubChem CID 62257313) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is 2-ethyl-N,2-dimethyl-N'-propyl-N-(1-thiophen-2-ylethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N,2-dimethyl-N'-propyl-N-(1-thiophen-2-ylethyl)propane-1,3-diamine
PubChem CID62257313
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC Name2-ethyl-N,2-dimethyl-N'-propyl-N-(1-thiophen-2-ylethyl)propane-1,3-diamine
SMILESCCCNCC(C)(CC)CN(C)C(C)c1cccs1
InChIInChI=1S/C16H30N2S/c1-6-10-17-12-16(4,7-2)13-18(5)14(3)15-9-8-11-19-15/h8-9,11,14,17H,6-7,10,12-13H2,1-5H3
InChIKeyRKBDQNSTOREZSA-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.16
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

2-ethyl-N,2-dimethyl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62256448
N-[1-(3-chlorophenyl)ethyl]-2-ethyl-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 63494918
N,2-diethyl-2-methyl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62259654
2-ethyl-N,2-dimethyl-N-phenyl-N'-propylpropane-1,3-diamine
CID 62261498
2-N-methyl-1-N-propyl-2-N-(1-thiophen-2-ylethyl)pentane-1,2-diamine
CID 83055013
N-cyclopropyl-N',2,2-trimethyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 62257620
2-(bromomethyl)-N-methyl-2-propyl-N-(1-thiophen-2-ylethyl)pentan-1-amine
CID 65005326
N-methyl-1-phenyl-N'-propyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62430658
2,2-dimethyl-N-propan-2-yl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62258945
(1R)-2-(propylamino)-1-thiophen-2-ylethanol
CID 39237770
6-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-N-propylpyridin-2-amine
CID 79243725
N-[(3-bromophenyl)methyl]-2-ethyl-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 63494839

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,2-dimethyl-N'-propyl-N-(1-thiophen-2-ylethyl)propane-1,3-diamine?
The IUPAC name of 2-ethyl-N,2-dimethyl-N'-propyl-N-(1-thiophen-2-ylethyl)propane-1,3-diamine (CID 62257313) is 2-ethyl-N,2-dimethyl-N'-propyl-N-(1-thiophen-2-ylethyl)propane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N,2-dimethyl-N'-propyl-N-(1-thiophen-2-ylethyl)propane-1,3-diamine?
The canonical SMILES for 2-ethyl-N,2-dimethyl-N'-propyl-N-(1-thiophen-2-ylethyl)propane-1,3-diamine is CCCNCC(C)(CC)CN(C)C(C)c1cccs1.
What is the InChIKey of 2-ethyl-N,2-dimethyl-N'-propyl-N-(1-thiophen-2-ylethyl)propane-1,3-diamine?
The InChIKey is RKBDQNSTOREZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-6-10-17-12-16(4,7-2)13-18(5)14(3)15-9-8-11-19-15/h8-9,11,14,17H,6-7,10,12-13H2,1-5H3.
What are the key properties of 2-ethyl-N,2-dimethyl-N'-propyl-N-(1-thiophen-2-ylethyl)propane-1,3-diamine?
2-ethyl-N,2-dimethyl-N'-propyl-N-(1-thiophen-2-ylethyl)propane-1,3-diamine has a molecular weight of 282.50 g/mol, XLogP of 4.16, 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-(1-thiophen-2-ylethyl)propane-1,3-diamine is sourced from PubChem (CID 62257313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).