N-[2-cyclopropyl-1-(3-ethylthiophen-2-yl)ethyl]propan-1-amine

C14H23NS — CID 104986473

IUPACN-[2-cyclopropyl-1-(3-ethylthiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CC1)c1sccc1CC
InChIInChI=1S/C14H23NS/c1-3-8-15-13(10-11-5-6-11)14-12(4-2)7-9-16-14/h7,9,11,13,15H,3-6,8,10H2,1-2H3
InChIKeySDZOOMWBACGDIP-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.15
Rot. Bonds7

About N-[2-cyclopropyl-1-(3-ethylthiophen-2-yl)ethyl]propan-1-amine

N-[2-cyclopropyl-1-(3-ethylthiophen-2-yl)ethyl]propan-1-amine (PubChem CID 104986473) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-[2-cyclopropyl-1-(3-ethylthiophen-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclopropyl-1-(3-ethylthiophen-2-yl)ethyl]propan-1-amine
PubChem CID104986473
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-[2-cyclopropyl-1-(3-ethylthiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CC1)c1sccc1CC
InChIInChI=1S/C14H23NS/c1-3-8-15-13(10-11-5-6-11)14-12(4-2)7-9-16-14/h7,9,11,13,15H,3-6,8,10H2,1-2H3
InChIKeySDZOOMWBACGDIP-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-cyclopropyl-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 104986393
N-[2-cyclobutyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115863501
2-cyclopropyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 104986347
N-[2-(4-chlorophenyl)-1-(3-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 79976161
N-[2-(5-ethyl-2-pyridinyl)-1-(3-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 105014658
N-[(3-ethylcyclohexyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 104992458
1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
CID 80529187
N-[1-(3-chlorothiophen-2-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 107360148
N-ethyl-1-(3-ethylthiophen-2-yl)propan-1-amine
CID 114979794
N-[2-cyclopropyl-1-(3-ethyl-2-pyridinyl)ethyl]propan-1-amine
CID 82741722
N-[(3-ethylthiophen-2-yl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 104992089
2-cyclobutyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 115863467

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-1-(3-ethylthiophen-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclopropyl-1-(3-ethylthiophen-2-yl)ethyl]propan-1-amine (CID 104986473) is N-[2-cyclopropyl-1-(3-ethylthiophen-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclopropyl-1-(3-ethylthiophen-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclopropyl-1-(3-ethylthiophen-2-yl)ethyl]propan-1-amine is CCCNC(CC1CC1)c1sccc1CC.
What is the InChIKey of N-[2-cyclopropyl-1-(3-ethylthiophen-2-yl)ethyl]propan-1-amine?
The InChIKey is SDZOOMWBACGDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-3-8-15-13(10-11-5-6-11)14-12(4-2)7-9-16-14/h7,9,11,13,15H,3-6,8,10H2,1-2H3.
What are the key properties of N-[2-cyclopropyl-1-(3-ethylthiophen-2-yl)ethyl]propan-1-amine?
N-[2-cyclopropyl-1-(3-ethylthiophen-2-yl)ethyl]propan-1-amine has a molecular weight of 237.41 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-1-(3-ethylthiophen-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 104986473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).