N-(2-cyclopropyl-2-methyl-4-thiophen-3-ylbutyl)cyclopropanamine

C15H23NS — CID 83160154

IUPACN-(2-cyclopropyl-2-methyl-4-thiophen-3-ylbutyl)cyclopropanamine
SMILESCC(CCc1ccsc1)(CNC1CC1)C1CC1
InChIInChI=1S/C15H23NS/c1-15(13-2-3-13,11-16-14-4-5-14)8-6-12-7-9-17-10-12/h7,9-10,13-14,16H,2-6,8,11H2,1H3
InChIKeyPDCPYAPAKSWEOE-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.85
Rot. Bonds7

About N-(2-cyclopropyl-2-methyl-4-thiophen-3-ylbutyl)cyclopropanamine

N-(2-cyclopropyl-2-methyl-4-thiophen-3-ylbutyl)cyclopropanamine (PubChem CID 83160154) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-methyl-4-thiophen-3-ylbutyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-methyl-4-thiophen-3-ylbutyl)cyclopropanamine
PubChem CID83160154
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC NameN-(2-cyclopropyl-2-methyl-4-thiophen-3-ylbutyl)cyclopropanamine
SMILESCC(CCc1ccsc1)(CNC1CC1)C1CC1
InChIInChI=1S/C15H23NS/c1-15(13-2-3-13,11-16-14-4-5-14)8-6-12-7-9-17-10-12/h7,9-10,13-14,16H,2-6,8,11H2,1H3
InChIKeyPDCPYAPAKSWEOE-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclopropyl-2-methyl-5-phenylpentyl)cyclopropanamine
CID 83160152
N-(2-cyclopropyl-2-methylpentyl)cyclopropanamine
CID 83159526
2-cyclohexyl-4-thiophen-3-ylbutan-2-ol
CID 114795051
4-chloro-N-(2-thiophen-3-ylethyl)cyclohexan-1-amine
CID 65023897
N-[3,3-dimethyl-2-(thiophen-3-ylmethyl)butyl]cyclopropanamine
CID 83138742
N-[[4-tert-butyl-1-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine
CID 63507890
methyl 2-(aminomethyl)-2-cyclopropyl-4-thiophen-3-ylbutanoate
CID 106489509
4-propan-2-yl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine
CID 63247711
N-(2-cyclopentyl-4-thiophen-3-ylbutyl)cyclopropanamine
CID 112570068
1-(cyclopropylamino)-5-thiophen-3-ylpentan-3-one
CID 116559357
3-(2-cyclopropylethyl)thiophene
CID 159324839
N,N'-dicyclopropyl-2,2-diethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62258731

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-methyl-4-thiophen-3-ylbutyl)cyclopropanamine?
The IUPAC name of N-(2-cyclopropyl-2-methyl-4-thiophen-3-ylbutyl)cyclopropanamine (CID 83160154) is N-(2-cyclopropyl-2-methyl-4-thiophen-3-ylbutyl)cyclopropanamine.
What is the SMILES notation for N-(2-cyclopropyl-2-methyl-4-thiophen-3-ylbutyl)cyclopropanamine?
The canonical SMILES for N-(2-cyclopropyl-2-methyl-4-thiophen-3-ylbutyl)cyclopropanamine is CC(CCc1ccsc1)(CNC1CC1)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-methyl-4-thiophen-3-ylbutyl)cyclopropanamine?
The InChIKey is PDCPYAPAKSWEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-15(13-2-3-13,11-16-14-4-5-14)8-6-12-7-9-17-10-12/h7,9-10,13-14,16H,2-6,8,11H2,1H3.
What are the key properties of N-(2-cyclopropyl-2-methyl-4-thiophen-3-ylbutyl)cyclopropanamine?
N-(2-cyclopropyl-2-methyl-4-thiophen-3-ylbutyl)cyclopropanamine has a molecular weight of 249.42 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-cyclopropyl-2-methyl-4-thiophen-3-ylbutyl)cyclopropanamine is sourced from PubChem (CID 83160154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).