N-[2-ethyl-2-(thiophen-2-ylmethyl)butyl]cyclopropanamine

C14H23NS — CID 62723656

IUPACN-[2-ethyl-2-(thiophen-2-ylmethyl)butyl]cyclopropanamine
SMILESCCC(CC)(CNC1CC1)Cc1cccs1
InChIInChI=1S/C14H23NS/c1-3-14(4-2,11-15-12-7-8-12)10-13-6-5-9-16-13/h5-6,9,12,15H,3-4,7-8,10-11H2,1-2H3
InChIKeyCRPWKSBUTJMQQB-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.85
Rot. Bonds7

About N-[2-ethyl-2-(thiophen-2-ylmethyl)butyl]cyclopropanamine

N-[2-ethyl-2-(thiophen-2-ylmethyl)butyl]cyclopropanamine (PubChem CID 62723656) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-[2-ethyl-2-(thiophen-2-ylmethyl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-ethyl-2-(thiophen-2-ylmethyl)butyl]cyclopropanamine
PubChem CID62723656
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-[2-ethyl-2-(thiophen-2-ylmethyl)butyl]cyclopropanamine
SMILESCCC(CC)(CNC1CC1)Cc1cccs1
InChIInChI=1S/C14H23NS/c1-3-14(4-2,11-15-12-7-8-12)10-13-6-5-9-16-13/h5-6,9,12,15H,3-4,7-8,10-11H2,1-2H3
InChIKeyCRPWKSBUTJMQQB-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-methyl-2-(thiophen-2-ylmethyl)pentyl]cyclopropanamine
CID 62724017
N-(2-cyclopropyl-2-methyl-3-thiophen-2-ylpropyl)cyclopropanamine
CID 83159341
2-[2,2-bis(bromomethyl)butyl]thiophene
CID 79456515
N-[2-ethyl-2-(naphthalen-1-ylmethyl)butyl]cyclopropanamine
CID 63509675
N-[2-[(2,3-dichlorophenyl)methyl]-2-ethylbutyl]cyclopropanamine
CID 107309723
4-(2-methylbutan-2-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 80526485
4-(thiophen-2-ylmethylamino)cyclohexan-1-ol
CID 43178546
N,2-dimethyl-2-(thiophen-2-ylmethyl)butan-1-amine
CID 62725876
4-fluoro-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 130678026
N-[2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butyl]cyclopropanamine
CID 82870716
2-ethyl-2-(thiophen-2-ylmethyl)hexan-1-amine
CID 62725494
2-ethyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)hexan-1-amine
CID 55197007

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(thiophen-2-ylmethyl)butyl]cyclopropanamine?
The IUPAC name of N-[2-ethyl-2-(thiophen-2-ylmethyl)butyl]cyclopropanamine (CID 62723656) is N-[2-ethyl-2-(thiophen-2-ylmethyl)butyl]cyclopropanamine.
What is the SMILES notation for N-[2-ethyl-2-(thiophen-2-ylmethyl)butyl]cyclopropanamine?
The canonical SMILES for N-[2-ethyl-2-(thiophen-2-ylmethyl)butyl]cyclopropanamine is CCC(CC)(CNC1CC1)Cc1cccs1.
What is the InChIKey of N-[2-ethyl-2-(thiophen-2-ylmethyl)butyl]cyclopropanamine?
The InChIKey is CRPWKSBUTJMQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-3-14(4-2,11-15-12-7-8-12)10-13-6-5-9-16-13/h5-6,9,12,15H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of N-[2-ethyl-2-(thiophen-2-ylmethyl)butyl]cyclopropanamine?
N-[2-ethyl-2-(thiophen-2-ylmethyl)butyl]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-ethyl-2-(thiophen-2-ylmethyl)butyl]cyclopropanamine is sourced from PubChem (CID 62723656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).