N,N'-dicyclopropyl-2,2-diethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine

C18H30N2S — CID 62258731

IUPACN,N'-dicyclopropyl-2,2-diethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
SMILESCCC(CC)(CNC1CC1)CN(Cc1ccsc1)C1CC1
InChIInChI=1S/C18H30N2S/c1-3-18(4-2,13-19-16-5-6-16)14-20(17-7-8-17)11-15-9-10-21-12-15/h9-10,12,16-17,19H,3-8,11,13-14H2,1-2H3
InChIKeyAGNXJHOAIANYLC-UHFFFAOYSA-N
MW306.52 g/mol
LogP4.27
Rot. Bonds10

About N,N'-dicyclopropyl-2,2-diethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine

N,N'-dicyclopropyl-2,2-diethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine (PubChem CID 62258731) has the molecular formula C18H30N2S and a molecular weight of 306.52 g/mol. Its IUPAC name is N,N'-dicyclopropyl-2,2-diethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dicyclopropyl-2,2-diethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
PubChem CID62258731
Molecular FormulaC18H30N2S
Molecular Weight306.52 g/mol
Exact Mass306.21
IUPAC NameN,N'-dicyclopropyl-2,2-diethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
SMILESCCC(CC)(CNC1CC1)CN(Cc1ccsc1)C1CC1
InChIInChI=1S/C18H30N2S/c1-3-18(4-2,13-19-16-5-6-16)14-20(17-7-8-17)11-15-9-10-21-12-15/h9-10,12,16-17,19H,3-8,11,13-14H2,1-2H3
InChIKeyAGNXJHOAIANYLC-UHFFFAOYSA-N
XLogP4.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-N'-cyclopropyl-2-ethyl-2-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62259598
N,N'-dicyclopropyl-2,2-diethyl-N'-propylpropane-1,3-diamine
CID 62263843
4-N-cyclopropyl-1-N-propyl-4-N-(thiophen-3-ylmethyl)cyclohexane-1,4-diamine
CID 114762977
3-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpropanal
CID 62276426
N-[(4-iodophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 65478755
N-cyclopropyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 63494489
2,2-diethyl-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 55051728
1-N-cyclopropyl-1-N-(thiophen-3-ylmethyl)butane-1,2-diamine
CID 61435222
N'-cyclopropyl-N-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 61435554
N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61435255
N-tert-butyl-2,2-diethyl-N'-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62258544
1-N-cyclopentyl-2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 62570532

Frequently Asked Questions

What is the IUPAC name of N,N'-dicyclopropyl-2,2-diethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine?
The IUPAC name of N,N'-dicyclopropyl-2,2-diethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine (CID 62258731) is N,N'-dicyclopropyl-2,2-diethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N,N'-dicyclopropyl-2,2-diethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N,N'-dicyclopropyl-2,2-diethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine is CCC(CC)(CNC1CC1)CN(Cc1ccsc1)C1CC1.
What is the InChIKey of N,N'-dicyclopropyl-2,2-diethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine?
The InChIKey is AGNXJHOAIANYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2S/c1-3-18(4-2,13-19-16-5-6-16)14-20(17-7-8-17)11-15-9-10-21-12-15/h9-10,12,16-17,19H,3-8,11,13-14H2,1-2H3.
What are the key properties of N,N'-dicyclopropyl-2,2-diethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine?
N,N'-dicyclopropyl-2,2-diethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine has a molecular weight of 306.52 g/mol, XLogP of 4.27, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyclopropyl-2,2-diethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 62258731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).