N-(2-methyl-2-piperazin-1-ylpropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine

C16H27N3S — CID 80551288

IUPACN-(2-methyl-2-piperazin-1-ylpropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine
SMILESCC(C)(CN(Cc1cccs1)C1CC1)N1CCNCC1
InChIInChI=1S/C16H27N3S/c1-16(2,19-9-7-17-8-10-19)13-18(14-5-6-14)12-15-4-3-11-20-15/h3-4,11,14,17H,5-10,12-13H2,1-2H3
InChIKeyYRZVHIDCLWMRJA-UHFFFAOYSA-N
MW293.48 g/mol
LogP2.40
Rot. Bonds6

About N-(2-methyl-2-piperazin-1-ylpropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine

N-(2-methyl-2-piperazin-1-ylpropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine (PubChem CID 80551288) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is N-(2-methyl-2-piperazin-1-ylpropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-methyl-2-piperazin-1-ylpropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine
PubChem CID80551288
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC NameN-(2-methyl-2-piperazin-1-ylpropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine
SMILESCC(C)(CN(Cc1cccs1)C1CC1)N1CCNCC1
InChIInChI=1S/C16H27N3S/c1-16(2,19-9-7-17-8-10-19)13-18(14-5-6-14)12-15-4-3-11-20-15/h3-4,11,14,17H,5-10,12-13H2,1-2H3
InChIKeyYRZVHIDCLWMRJA-UHFFFAOYSA-N
XLogP2.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62261097
1-N-cyclopropyl-2-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 79811729
N-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride
CID 69497458
2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2-methylbutanoic acid
CID 62271809
N-cyclopropyl-N'-ethyl-2-methyl-2-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62261090
N-cyclopropyl-N-(thiophen-2-ylmethyl)piperazine-1-sulfonamide
CID 61253694
1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-one
CID 62029716
4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 62808156
(2R)-1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932763
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
N-methyl-N-(2-methyl-2-piperazin-1-ylpropyl)cycloheptanamine
CID 80551419

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-piperazin-1-ylpropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-(2-methyl-2-piperazin-1-ylpropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine (CID 80551288) is N-(2-methyl-2-piperazin-1-ylpropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(2-methyl-2-piperazin-1-ylpropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(2-methyl-2-piperazin-1-ylpropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine is CC(C)(CN(Cc1cccs1)C1CC1)N1CCNCC1.
What is the InChIKey of N-(2-methyl-2-piperazin-1-ylpropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine?
The InChIKey is YRZVHIDCLWMRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-16(2,19-9-7-17-8-10-19)13-18(14-5-6-14)12-15-4-3-11-20-15/h3-4,11,14,17H,5-10,12-13H2,1-2H3.
What are the key properties of N-(2-methyl-2-piperazin-1-ylpropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine?
N-(2-methyl-2-piperazin-1-ylpropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine has a molecular weight of 293.48 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-piperazin-1-ylpropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 80551288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).