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

C14H26N2S — CID 65232585

IUPACN'-propan-2-yl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESCCCC(CN)CN(Cc1cccs1)C(C)C
InChIInChI=1S/C14H26N2S/c1-4-6-13(9-15)10-16(12(2)3)11-14-7-5-8-17-14/h5,7-8,12-13H,4,6,9-11,15H2,1-3H3
InChIKeyTWESBFWHVKBLEE-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.33
Rot. Bonds8

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

N'-propan-2-yl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine (PubChem CID 65232585) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is N'-propan-2-yl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-propan-2-yl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
PubChem CID65232585
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC NameN'-propan-2-yl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESCCCC(CN)CN(Cc1cccs1)C(C)C
InChIInChI=1S/C14H26N2S/c1-4-6-13(9-15)10-16(12(2)3)11-14-7-5-8-17-14/h5,7-8,12-13H,4,6,9-11,15H2,1-3H3
InChIKeyTWESBFWHVKBLEE-UHFFFAOYSA-N
XLogP3.33
TPSA29.26 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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 65232586
2-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 81079321
(2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932766
2-ethyl-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 65228216
N-ethyl-2-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62463231
1-ethoxy-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 63932948
2-ethyl-4-thiophen-2-ylbutan-1-amine
CID 63774088
1-N-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 43650477
N'-propan-2-yl-N'-(thiophen-2-ylmethyl)hexane-1,6-diamine
CID 54946840
N',2-diethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 81079435
N-ethyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine
CID 67813674
N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 61453411

Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-propan-2-yl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine (CID 65232585) is N'-propan-2-yl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-propan-2-yl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-propan-2-yl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine is CCCC(CN)CN(Cc1cccs1)C(C)C.
What is the InChIKey of N'-propan-2-yl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The InChIKey is TWESBFWHVKBLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-4-6-13(9-15)10-16(12(2)3)11-14-7-5-8-17-14/h5,7-8,12-13H,4,6,9-11,15H2,1-3H3.
What are the key properties of N'-propan-2-yl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
N'-propan-2-yl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine has a molecular weight of 254.44 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 65232585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).