N-[3,3-dimethyl-2-(thiophen-3-ylmethyl)butyl]cyclopropanamine

C14H23NS — CID 83138742

IUPACN-[3,3-dimethyl-2-(thiophen-3-ylmethyl)butyl]cyclopropanamine
SMILESCC(C)(C)C(CNC1CC1)Cc1ccsc1
InChIInChI=1S/C14H23NS/c1-14(2,3)12(9-15-13-4-5-13)8-11-6-7-16-10-11/h6-7,10,12-13,15H,4-5,8-9H2,1-3H3
InChIKeyHWQLWRUJQIRGOA-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.70
Rot. Bonds5

About N-[3,3-dimethyl-2-(thiophen-3-ylmethyl)butyl]cyclopropanamine

N-[3,3-dimethyl-2-(thiophen-3-ylmethyl)butyl]cyclopropanamine (PubChem CID 83138742) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-[3,3-dimethyl-2-(thiophen-3-ylmethyl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3,3-dimethyl-2-(thiophen-3-ylmethyl)butyl]cyclopropanamine
PubChem CID83138742
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-[3,3-dimethyl-2-(thiophen-3-ylmethyl)butyl]cyclopropanamine
SMILESCC(C)(C)C(CNC1CC1)Cc1ccsc1
InChIInChI=1S/C14H23NS/c1-14(2,3)12(9-15-13-4-5-13)8-11-6-7-16-10-11/h6-7,10,12-13,15H,4-5,8-9H2,1-3H3
InChIKeyHWQLWRUJQIRGOA-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(3,5-dimethylphenyl)methyl]-3,3-dimethylbutyl]cyclopropanamine
CID 83138940
4-propan-2-yl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine
CID 63247711
N-(2-cyclopentyl-4-thiophen-3-ylbutyl)cyclopropanamine
CID 112570068
N-[2-[(3-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutyl]cyclopropanamine
CID 83138740
N-[2-[(1-ethylpyrazol-4-yl)methyl]-3,3-dimethylbutyl]cyclopropanamine
CID 83139327
N-[2-(3-chlorophenyl)-3-thiophen-3-ylpropyl]cyclopropanamine
CID 79442652
N-(2-cyclopropyl-2-methyl-4-thiophen-3-ylbutyl)cyclopropanamine
CID 83160154
2-cyclopentyl-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 112569789
4-chloro-N-(2-thiophen-3-ylethyl)cyclohexan-1-amine
CID 65023897
N-(2-methyl-3-thiophen-3-ylbutyl)cyclopropanamine
CID 81015095
N-(2-tert-butyl-5-phenylpentyl)cyclopropanamine
CID 83139717
N-[[4-tert-butyl-1-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine
CID 63507890

Frequently Asked Questions

What is the IUPAC name of N-[3,3-dimethyl-2-(thiophen-3-ylmethyl)butyl]cyclopropanamine?
The IUPAC name of N-[3,3-dimethyl-2-(thiophen-3-ylmethyl)butyl]cyclopropanamine (CID 83138742) is N-[3,3-dimethyl-2-(thiophen-3-ylmethyl)butyl]cyclopropanamine.
What is the SMILES notation for N-[3,3-dimethyl-2-(thiophen-3-ylmethyl)butyl]cyclopropanamine?
The canonical SMILES for N-[3,3-dimethyl-2-(thiophen-3-ylmethyl)butyl]cyclopropanamine is CC(C)(C)C(CNC1CC1)Cc1ccsc1.
What is the InChIKey of N-[3,3-dimethyl-2-(thiophen-3-ylmethyl)butyl]cyclopropanamine?
The InChIKey is HWQLWRUJQIRGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-14(2,3)12(9-15-13-4-5-13)8-11-6-7-16-10-11/h6-7,10,12-13,15H,4-5,8-9H2,1-3H3.
What are the key properties of N-[3,3-dimethyl-2-(thiophen-3-ylmethyl)butyl]cyclopropanamine?
N-[3,3-dimethyl-2-(thiophen-3-ylmethyl)butyl]cyclopropanamine has a molecular weight of 237.41 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-dimethyl-2-(thiophen-3-ylmethyl)butyl]cyclopropanamine is sourced from PubChem (CID 83138742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).