N-(3,3-diethoxypropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine

C15H25NO2S — CID 55249177

IUPACN-(3,3-diethoxypropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine
SMILESCCOC(CCN(Cc1cccs1)C1CC1)OCC
InChIInChI=1S/C15H25NO2S/c1-3-17-15(18-4-2)9-10-16(13-7-8-13)12-14-6-5-11-19-14/h5-6,11,13,15H,3-4,7-10,12H2,1-2H3
InChIKeyYXBQKNDRPSISRB-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.50
Rot. Bonds10

About N-(3,3-diethoxypropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine

N-(3,3-diethoxypropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine (PubChem CID 55249177) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is N-(3,3-diethoxypropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(3,3-diethoxypropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine
PubChem CID55249177
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC NameN-(3,3-diethoxypropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine
SMILESCCOC(CCN(Cc1cccs1)C1CC1)OCC
InChIInChI=1S/C15H25NO2S/c1-3-17-15(18-4-2)9-10-16(13-7-8-13)12-14-6-5-11-19-14/h5-6,11,13,15H,3-4,7-10,12H2,1-2H3
InChIKeyYXBQKNDRPSISRB-UHFFFAOYSA-N
XLogP3.50
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61449596
N'-cyclopropyl-N-ethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 55069331
N'-cyclopropyl-N-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 61449280
N-but-3-ynyl-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 63655817
(2R)-1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932763
4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 62808156
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N,N-dipropylacetamide
CID 52569061
N-ethyl-N-(thiophen-2-ylmethyl)cyclohexanamine
CID 69253511
4-N-ethyl-1-N-methyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 114762984
9-[cyclopropyl(thiophen-2-ylmethyl)amino]nonane-1-thiol
CID 105344206
2,2-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine
CID 63619196
1-N-cyclopropyl-2-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 79811729

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diethoxypropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-(3,3-diethoxypropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine (CID 55249177) is N-(3,3-diethoxypropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(3,3-diethoxypropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(3,3-diethoxypropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine is CCOC(CCN(Cc1cccs1)C1CC1)OCC.
What is the InChIKey of N-(3,3-diethoxypropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine?
The InChIKey is YXBQKNDRPSISRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-3-17-15(18-4-2)9-10-16(13-7-8-13)12-14-6-5-11-19-14/h5-6,11,13,15H,3-4,7-10,12H2,1-2H3.
What are the key properties of N-(3,3-diethoxypropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine?
N-(3,3-diethoxypropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine has a molecular weight of 283.44 g/mol, XLogP of 3.50, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diethoxypropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 55249177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).