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

C15H28N2S — CID 62258772

IUPACN-ethyl-2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESCCNCC(C)(C)CN(Cc1cccs1)C(C)C
InChIInChI=1S/C15H28N2S/c1-6-16-11-15(4,5)12-17(13(2)3)10-14-8-7-9-18-14/h7-9,13,16H,6,10-12H2,1-5H3
InChIKeyDJNJUJHGYYKGLN-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.59
Rot. Bonds8

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

N-ethyl-2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine (PubChem CID 62258772) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
PubChem CID62258772
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC NameN-ethyl-2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESCCNCC(C)(C)CN(Cc1cccs1)C(C)C
InChIInChI=1S/C15H28N2S/c1-6-16-11-15(4,5)12-17(13(2)3)10-14-8-7-9-18-14/h7-9,13,16H,6,10-12H2,1-5H3
InChIKeyDJNJUJHGYYKGLN-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-propan-2-yl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62258945
N-ethyl-2,2-dimethyl-4-thiophen-2-ylbutan-1-amine
CID 63774462
2-N,2-dimethyl-1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62847316
N-ethyl-2-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62463231
2-methyl-N,N'-di(propan-2-yl)-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 63492986
1-N,2-N-diethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62463458
2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine
CID 65254528
methyl 2,2-dimethyl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propanoate
CID 79621848
N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 62461456
N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 62462708
N-ethyl-2-methyl-2-(2-thiophen-2-ylethoxy)propan-1-amine
CID 62355435
(2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932766

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N-ethyl-2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine (CID 62258772) is N-ethyl-2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N-ethyl-2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine is CCNCC(C)(C)CN(Cc1cccs1)C(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The InChIKey is DJNJUJHGYYKGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-6-16-11-15(4,5)12-17(13(2)3)10-14-8-7-9-18-14/h7-9,13,16H,6,10-12H2,1-5H3.
What are the key properties of N-ethyl-2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
N-ethyl-2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine has a molecular weight of 268.47 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 62258772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).