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

C12H20N2S — CID 61435554

IUPACN'-cyclopropyl-N-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
SMILESCNCCCN(Cc1ccsc1)C1CC1
InChIInChI=1S/C12H20N2S/c1-13-6-2-7-14(12-3-4-12)9-11-5-8-15-10-11/h5,8,10,12-13H,2-4,6-7,9H2,1H3
InChIKeyMNSFRFAJKMQCOC-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.32
Rot. Bonds7

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

N'-cyclopropyl-N-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine (PubChem CID 61435554) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N'-cyclopropyl-N-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
PubChem CID61435554
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN'-cyclopropyl-N-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
SMILESCNCCCN(Cc1ccsc1)C1CC1
InChIInChI=1S/C12H20N2S/c1-13-6-2-7-14(12-3-4-12)9-11-5-8-15-10-11/h5,8,10,12-13H,2-4,6-7,9H2,1H3
InChIKeyMNSFRFAJKMQCOC-UHFFFAOYSA-N
XLogP2.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol
CID 61435347
6-[cyclopropyl(thiophen-3-ylmethyl)amino]hexan-1-ol
CID 103737857
N'-cyclopropyl-N-phenyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62563786
N'-cyclopropyl-N-propan-2-yl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine
CID 62435574
N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61435255
N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine
CID 65253760
3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid
CID 60838165
5-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpentanoic acid
CID 65255298
N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 62390633
5-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxypentanimidamide
CID 54965704
N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 106906235
N-(3-piperidin-2-ylpropyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 62212509

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-N-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine (CID 61435554) is N'-cyclopropyl-N-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-N-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-N-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine is CNCCCN(Cc1ccsc1)C1CC1.
What is the InChIKey of N'-cyclopropyl-N-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine?
The InChIKey is MNSFRFAJKMQCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-13-6-2-7-14(12-3-4-12)9-11-5-8-15-10-11/h5,8,10,12-13H,2-4,6-7,9H2,1H3.
What are the key properties of N'-cyclopropyl-N-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine?
N'-cyclopropyl-N-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine has a molecular weight of 224.37 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 61435554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).