N-[2-methyl-2-(thiophen-2-ylmethyl)pentyl]cyclopropanamine

C14H23NS — CID 62724017

IUPACN-[2-methyl-2-(thiophen-2-ylmethyl)pentyl]cyclopropanamine
SMILESCCCC(C)(CNC1CC1)Cc1cccs1
InChIInChI=1S/C14H23NS/c1-3-8-14(2,11-15-12-6-7-12)10-13-5-4-9-16-13/h4-5,9,12,15H,3,6-8,10-11H2,1-2H3
InChIKeyAKJNDAGLJMIVTK-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.85
Rot. Bonds7

About N-[2-methyl-2-(thiophen-2-ylmethyl)pentyl]cyclopropanamine

N-[2-methyl-2-(thiophen-2-ylmethyl)pentyl]cyclopropanamine (PubChem CID 62724017) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-[2-methyl-2-(thiophen-2-ylmethyl)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-methyl-2-(thiophen-2-ylmethyl)pentyl]cyclopropanamine
PubChem CID62724017
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-[2-methyl-2-(thiophen-2-ylmethyl)pentyl]cyclopropanamine
SMILESCCCC(C)(CNC1CC1)Cc1cccs1
InChIInChI=1S/C14H23NS/c1-3-8-14(2,11-15-12-6-7-12)10-13-5-4-9-16-13/h4-5,9,12,15H,3,6-8,10-11H2,1-2H3
InChIKeyAKJNDAGLJMIVTK-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-ethyl-2-(thiophen-2-ylmethyl)butyl]cyclopropanamine
CID 62723656
2-methyl-N-propan-2-yl-2-(thiophen-2-ylmethyl)pentan-1-amine
CID 62725024
N-(2-cyclopropyl-2-methyl-3-thiophen-2-ylpropyl)cyclopropanamine
CID 83159341
2-[2-(chloromethyl)-2-methylpentyl]thiophene
CID 66035583
N-[2-[(2,6-dichlorophenyl)methyl]-2-methylpentyl]cyclopropanamine
CID 63509602
N,2-dimethyl-2-(thiophen-2-ylmethyl)butan-1-amine
CID 62725876
N-[2-(1,3-dihydroisoindol-2-ylmethyl)-2-methylpentyl]cyclopropanamine
CID 62256349
N-[2-[(5-ethylthiophen-2-yl)methyl]-2-methylbutyl]cyclopropanamine
CID 62718626
N-cyclopropyl-N'-ethyl-2-methyl-2-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62261090
N-[2-methyl-2-[(1-methylpyrazol-4-yl)methyl]pentyl]cyclopropanamine
CID 62724831
N-[2-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylpentyl]cyclopropanamine
CID 62723615
2-[3-(chloromethyl)-3-methylhexyl]thiophene
CID 66034465

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(thiophen-2-ylmethyl)pentyl]cyclopropanamine?
The IUPAC name of N-[2-methyl-2-(thiophen-2-ylmethyl)pentyl]cyclopropanamine (CID 62724017) is N-[2-methyl-2-(thiophen-2-ylmethyl)pentyl]cyclopropanamine.
What is the SMILES notation for N-[2-methyl-2-(thiophen-2-ylmethyl)pentyl]cyclopropanamine?
The canonical SMILES for N-[2-methyl-2-(thiophen-2-ylmethyl)pentyl]cyclopropanamine is CCCC(C)(CNC1CC1)Cc1cccs1.
What is the InChIKey of N-[2-methyl-2-(thiophen-2-ylmethyl)pentyl]cyclopropanamine?
The InChIKey is AKJNDAGLJMIVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-3-8-14(2,11-15-12-6-7-12)10-13-5-4-9-16-13/h4-5,9,12,15H,3,6-8,10-11H2,1-2H3.
What are the key properties of N-[2-methyl-2-(thiophen-2-ylmethyl)pentyl]cyclopropanamine?
N-[2-methyl-2-(thiophen-2-ylmethyl)pentyl]cyclopropanamine has a molecular weight of 237.41 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(thiophen-2-ylmethyl)pentyl]cyclopropanamine is sourced from PubChem (CID 62724017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).