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

C17H30N2S — CID 62261090

IUPACN-cyclopropyl-N'-ethyl-2-methyl-2-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESCCCC(C)(CNCC)CN(Cc1cccs1)C1CC1
InChIInChI=1S/C17H30N2S/c1-4-10-17(3,13-18-5-2)14-19(15-8-9-15)12-16-7-6-11-20-16/h6-7,11,15,18H,4-5,8-10,12-14H2,1-3H3
InChIKeyXUUABRHCKQODRL-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.13
Rot. Bonds10

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

N-cyclopropyl-N'-ethyl-2-methyl-2-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine (PubChem CID 62261090) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is N-cyclopropyl-N'-ethyl-2-methyl-2-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-ethyl-2-methyl-2-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
PubChem CID62261090
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC NameN-cyclopropyl-N'-ethyl-2-methyl-2-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESCCCC(C)(CNCC)CN(Cc1cccs1)C1CC1
InChIInChI=1S/C17H30N2S/c1-4-10-17(3,13-18-5-2)14-19(15-8-9-15)12-16-7-6-11-20-16/h6-7,11,15,18H,4-5,8-10,12-14H2,1-3H3
InChIKeyXUUABRHCKQODRL-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-cyclopropyl-2-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 79811729
N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62261097
N'-cyclopropyl-N-ethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 55069331
N,N',2-trimethyl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 55051533
2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2-methylbutanoic acid
CID 62271809
N-(2-methyl-2-piperazin-1-ylpropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 80551288
2-methyl-N,N'-di(propan-2-yl)-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 63492986
4-N-ethyl-1-N-methyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 114762984
N-ethyl-2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62258772
N-ethyl-2,2-dimethyl-4-thiophen-2-ylbutan-1-amine
CID 63774462
4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 62808156
N-[2-methyl-2-(thiophen-2-ylmethyl)pentyl]cyclopropanamine
CID 62724017

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-ethyl-2-methyl-2-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N'-ethyl-2-methyl-2-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine (CID 62261090) is N-cyclopropyl-N'-ethyl-2-methyl-2-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N'-ethyl-2-methyl-2-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N'-ethyl-2-methyl-2-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine is CCCC(C)(CNCC)CN(Cc1cccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-N'-ethyl-2-methyl-2-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine?
The InChIKey is XUUABRHCKQODRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-4-10-17(3,13-18-5-2)14-19(15-8-9-15)12-16-7-6-11-20-16/h6-7,11,15,18H,4-5,8-10,12-14H2,1-3H3.
What are the key properties of N-cyclopropyl-N'-ethyl-2-methyl-2-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine?
N-cyclopropyl-N'-ethyl-2-methyl-2-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine has a molecular weight of 294.51 g/mol, XLogP of 4.13, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-ethyl-2-methyl-2-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 62261090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).