N-[4-(5-bromothiophen-2-yl)-3,3-dimethylbutyl]cyclopropanamine

C13H20BrNS — CID 81023040

IUPACN-[4-(5-bromothiophen-2-yl)-3,3-dimethylbutyl]cyclopropanamine
SMILESCC(C)(CCNC1CC1)Cc1ccc(Br)s1
InChIInChI=1S/C13H20BrNS/c1-13(2,7-8-15-10-3-4-10)9-11-5-6-12(14)16-11/h5-6,10,15H,3-4,7-9H2,1-2H3
InChIKeyZDWBCXKBLTWVCM-UHFFFAOYSA-N
MW302.28 g/mol
LogP4.22
Rot. Bonds6

About N-[4-(5-bromothiophen-2-yl)-3,3-dimethylbutyl]cyclopropanamine

N-[4-(5-bromothiophen-2-yl)-3,3-dimethylbutyl]cyclopropanamine (PubChem CID 81023040) has the molecular formula C13H20BrNS and a molecular weight of 302.28 g/mol. Its IUPAC name is N-[4-(5-bromothiophen-2-yl)-3,3-dimethylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(5-bromothiophen-2-yl)-3,3-dimethylbutyl]cyclopropanamine
PubChem CID81023040
Molecular FormulaC13H20BrNS
Molecular Weight302.28 g/mol
Exact Mass301.05
IUPAC NameN-[4-(5-bromothiophen-2-yl)-3,3-dimethylbutyl]cyclopropanamine
SMILESCC(C)(CCNC1CC1)Cc1ccc(Br)s1
InChIInChI=1S/C13H20BrNS/c1-13(2,7-8-15-10-3-4-10)9-11-5-6-12(14)16-11/h5-6,10,15H,3-4,7-9H2,1-2H3
InChIKeyZDWBCXKBLTWVCM-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 106043985
N-[5-(5-ethylthiophen-2-yl)-3,3-dimethylpentyl]cyclopropanamine
CID 65304656
N-[4-(4-bromo-2-fluorophenyl)-3,3-dimethylbutyl]cyclopropanamine
CID 81023434
N-[2-[(5-bromothiophen-2-yl)methyl]butyl]cyclopropanamine
CID 62531192
N-[2-(5-bromothiophen-2-yl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 114140004
N-[(5-bromothiophen-2-yl)methyl]-4-ethylcyclohexan-1-amine
CID 63452327
N-[2-(5-bromothiophen-2-yl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 106042746
4-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1,4-diamine
CID 62314221
N-[1-(5-bromothiophen-2-yl)propan-2-yl]cyclopropanamine
CID 82484308
N-[(5-bromothiophen-2-yl)methyl]cyclododecanamine
CID 63452326
N-[(5-bromothiophen-2-yl)methyl]-4-propylcycloheptan-1-amine
CID 65091163
N-[4-(2,5-dichlorophenyl)-3,3-dimethylbutyl]cyclopropanamine
CID 81023564

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-bromothiophen-2-yl)-3,3-dimethylbutyl]cyclopropanamine?
The IUPAC name of N-[4-(5-bromothiophen-2-yl)-3,3-dimethylbutyl]cyclopropanamine (CID 81023040) is N-[4-(5-bromothiophen-2-yl)-3,3-dimethylbutyl]cyclopropanamine.
What is the SMILES notation for N-[4-(5-bromothiophen-2-yl)-3,3-dimethylbutyl]cyclopropanamine?
The canonical SMILES for N-[4-(5-bromothiophen-2-yl)-3,3-dimethylbutyl]cyclopropanamine is CC(C)(CCNC1CC1)Cc1ccc(Br)s1.
What is the InChIKey of N-[4-(5-bromothiophen-2-yl)-3,3-dimethylbutyl]cyclopropanamine?
The InChIKey is ZDWBCXKBLTWVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNS/c1-13(2,7-8-15-10-3-4-10)9-11-5-6-12(14)16-11/h5-6,10,15H,3-4,7-9H2,1-2H3.
What are the key properties of N-[4-(5-bromothiophen-2-yl)-3,3-dimethylbutyl]cyclopropanamine?
N-[4-(5-bromothiophen-2-yl)-3,3-dimethylbutyl]cyclopropanamine has a molecular weight of 302.28 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-bromothiophen-2-yl)-3,3-dimethylbutyl]cyclopropanamine is sourced from PubChem (CID 81023040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).