N-[(3-bromo-5-methylthiophen-2-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine

C14H22BrNS — CID 107001275

IUPACN-[(3-bromo-5-methylthiophen-2-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1sc(C)cc1Br)C1CC1(C)C
InChIInChI=1S/C14H22BrNS/c1-5-6-16-12(10-8-14(10,3)4)13-11(15)7-9(2)17-13/h7,10,12,16H,5-6,8H2,1-4H3
InChIKeyBCWWNPDRKBJHDY-UHFFFAOYSA-N
MW316.31 g/mol
LogP4.91
Rot. Bonds5

About N-[(3-bromo-5-methylthiophen-2-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine

N-[(3-bromo-5-methylthiophen-2-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine (PubChem CID 107001275) has the molecular formula C14H22BrNS and a molecular weight of 316.31 g/mol. Its IUPAC name is N-[(3-bromo-5-methylthiophen-2-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-5-methylthiophen-2-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
PubChem CID107001275
Molecular FormulaC14H22BrNS
Molecular Weight316.31 g/mol
Exact Mass315.07
IUPAC NameN-[(3-bromo-5-methylthiophen-2-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1sc(C)cc1Br)C1CC1(C)C
InChIInChI=1S/C14H22BrNS/c1-5-6-16-12(10-8-14(10,3)4)13-11(15)7-9(2)17-13/h7,10,12,16H,5-6,8H2,1-4H3
InChIKeyBCWWNPDRKBJHDY-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-methylthiophen-2-yl)-1-(2,2-dimethylcyclopropyl)-N-methylmethanamine
CID 107001273
N-[(4-bromo-5-methylthiophen-2-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
CID 107001441
N-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 107178074
1-(3-bromo-5-methylthiophen-2-yl)-N-propylpropan-1-amine
CID 65278886
N-[1-(3-bromo-5-methylthiophen-2-yl)-2,2,2-trifluoroethyl]propan-1-amine
CID 65278628
N-[(5-bromo-2-methoxy-3,6-dimethylphenyl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
CID 107001381
N-[(3-chloro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
CID 107561829
N-[(2,2-dimethylcyclohexyl)-(2,5-dimethylthiophen-3-yl)methyl]propan-1-amine
CID 107177546
N-[(3-bromo-5-methylthiophen-2-yl)-(2,3-dimethylphenyl)methyl]propan-1-amine
CID 65278365
N-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 106892800
N-[cycloheptyl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 81155915
N-[1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine
CID 107004121

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-methylthiophen-2-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-bromo-5-methylthiophen-2-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine (CID 107001275) is N-[(3-bromo-5-methylthiophen-2-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-bromo-5-methylthiophen-2-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-bromo-5-methylthiophen-2-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine is CCCNC(c1sc(C)cc1Br)C1CC1(C)C.
What is the InChIKey of N-[(3-bromo-5-methylthiophen-2-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine?
The InChIKey is BCWWNPDRKBJHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNS/c1-5-6-16-12(10-8-14(10,3)4)13-11(15)7-9(2)17-13/h7,10,12,16H,5-6,8H2,1-4H3.
What are the key properties of N-[(3-bromo-5-methylthiophen-2-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine?
N-[(3-bromo-5-methylthiophen-2-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine has a molecular weight of 316.31 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-methylthiophen-2-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 107001275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).