N-[5-(5-ethylthiophen-2-yl)-3,3-dimethylpentyl]cyclopropanamine

C16H27NS — CID 65304656

IUPACN-[5-(5-ethylthiophen-2-yl)-3,3-dimethylpentyl]cyclopropanamine
SMILESCCc1ccc(CCC(C)(C)CCNC2CC2)s1
InChIInChI=1S/C16H27NS/c1-4-14-7-8-15(18-14)9-10-16(2,3)11-12-17-13-5-6-13/h7-8,13,17H,4-6,9-12H2,1-3H3
InChIKeyJHSVYJQBYSIGAW-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.41
Rot. Bonds8

About N-[5-(5-ethylthiophen-2-yl)-3,3-dimethylpentyl]cyclopropanamine

N-[5-(5-ethylthiophen-2-yl)-3,3-dimethylpentyl]cyclopropanamine (PubChem CID 65304656) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is N-[5-(5-ethylthiophen-2-yl)-3,3-dimethylpentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[5-(5-ethylthiophen-2-yl)-3,3-dimethylpentyl]cyclopropanamine
PubChem CID65304656
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC NameN-[5-(5-ethylthiophen-2-yl)-3,3-dimethylpentyl]cyclopropanamine
SMILESCCc1ccc(CCC(C)(C)CCNC2CC2)s1
InChIInChI=1S/C16H27NS/c1-4-14-7-8-15(18-14)9-10-16(2,3)11-12-17-13-5-6-13/h7-8,13,17H,4-6,9-12H2,1-3H3
InChIKeyJHSVYJQBYSIGAW-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[1-[2-(5-ethylthiophen-2-yl)ethyl]cyclopentyl]ethyl]cyclopropanamine
CID 65304606
N-[4-(5-bromothiophen-2-yl)-3,3-dimethylbutyl]cyclopropanamine
CID 81023040
N-[2-[(5-ethylthiophen-2-yl)methyl]-2-methylbutyl]cyclopropanamine
CID 62718626
N-[3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine
CID 65304298
N-[(5-ethylthiophen-2-yl)methyl]cycloheptanamine
CID 43346127
N-[(5-ethylthiophen-2-yl)methyl]oxan-4-amine
CID 43610154
N-[4-[5-[(cyclopropylamino)methyl]thiophen-2-yl]butyl]cyclopropanamine
CID 107557088
N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 55106645
2,5-diethylthiophene
CID 521294
N-[6-(5-methylthiophen-2-yl)hexyl]cyclopropanamine
CID 65308377
N-(3,3-dimethylhept-6-ynyl)cyclopropanamine
CID 81022104
N-[3-(5-chlorothiophen-2-yl)-3-methylbutyl]cyclopropanamine
CID 79830033

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-ethylthiophen-2-yl)-3,3-dimethylpentyl]cyclopropanamine?
The IUPAC name of N-[5-(5-ethylthiophen-2-yl)-3,3-dimethylpentyl]cyclopropanamine (CID 65304656) is N-[5-(5-ethylthiophen-2-yl)-3,3-dimethylpentyl]cyclopropanamine.
What is the SMILES notation for N-[5-(5-ethylthiophen-2-yl)-3,3-dimethylpentyl]cyclopropanamine?
The canonical SMILES for N-[5-(5-ethylthiophen-2-yl)-3,3-dimethylpentyl]cyclopropanamine is CCc1ccc(CCC(C)(C)CCNC2CC2)s1.
What is the InChIKey of N-[5-(5-ethylthiophen-2-yl)-3,3-dimethylpentyl]cyclopropanamine?
The InChIKey is JHSVYJQBYSIGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-4-14-7-8-15(18-14)9-10-16(2,3)11-12-17-13-5-6-13/h7-8,13,17H,4-6,9-12H2,1-3H3.
What are the key properties of N-[5-(5-ethylthiophen-2-yl)-3,3-dimethylpentyl]cyclopropanamine?
N-[5-(5-ethylthiophen-2-yl)-3,3-dimethylpentyl]cyclopropanamine has a molecular weight of 265.47 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-ethylthiophen-2-yl)-3,3-dimethylpentyl]cyclopropanamine is sourced from PubChem (CID 65304656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).