N-[(5-bromothiophen-2-yl)methyl]-4,4-dimethylcycloheptan-1-amine

C14H22BrNS — CID 65083500

IUPACN-[(5-bromothiophen-2-yl)methyl]-4,4-dimethylcycloheptan-1-amine
SMILESCC1(C)CCCC(NCc2ccc(Br)s2)CC1
InChIInChI=1S/C14H22BrNS/c1-14(2)8-3-4-11(7-9-14)16-10-12-5-6-13(15)17-12/h5-6,11,16H,3-4,7-10H2,1-2H3
InChIKeyLFNDJURDZXGYMJ-UHFFFAOYSA-N
MW316.31 g/mol
LogP4.96
Rot. Bonds3

About N-[(5-bromothiophen-2-yl)methyl]-4,4-dimethylcycloheptan-1-amine

N-[(5-bromothiophen-2-yl)methyl]-4,4-dimethylcycloheptan-1-amine (PubChem CID 65083500) has the molecular formula C14H22BrNS and a molecular weight of 316.31 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-4,4-dimethylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-4,4-dimethylcycloheptan-1-amine
PubChem CID65083500
Molecular FormulaC14H22BrNS
Molecular Weight316.31 g/mol
Exact Mass315.07
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-4,4-dimethylcycloheptan-1-amine
SMILESCC1(C)CCCC(NCc2ccc(Br)s2)CC1
InChIInChI=1S/C14H22BrNS/c1-14(2)8-3-4-11(7-9-14)16-10-12-5-6-13(15)17-12/h5-6,11,16H,3-4,7-10H2,1-2H3
InChIKeyLFNDJURDZXGYMJ-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-bromothiophen-2-yl)methyl]-4,4-dimethylcycloheptan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-bromothiophen-2-yl)methyl]cyclododecanamine
CID 63452326
N-[(5-bromothiophen-2-yl)methyl]azepan-4-amine
CID 103981707
N-[(5-bromothiophen-2-yl)methyl]-4-propylcycloheptan-1-amine
CID 65091163
N-[(5-bromothiophen-2-yl)methyl]-4-ethylcyclohexan-1-amine
CID 63452327
4-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1,4-diamine
CID 62314221
[4-[(5-bromothiophen-2-yl)methylamino]cyclohexyl]methanol
CID 103753139
N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpiperidin-4-amine
CID 43234226
N-[(5-bromothiophen-2-yl)methyl]oxetan-3-amine
CID 63624209
N-[(5-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine
CID 64501545
N-[(5-chlorothiophen-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 80706144
N-[(4,5-dibromothiophen-2-yl)methyl]-3,3-dimethylcyclohexan-1-amine
CID 102836922
N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentan-1-amine
CID 61365000

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-4,4-dimethylcycloheptan-1-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-4,4-dimethylcycloheptan-1-amine (CID 65083500) is N-[(5-bromothiophen-2-yl)methyl]-4,4-dimethylcycloheptan-1-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-4,4-dimethylcycloheptan-1-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-4,4-dimethylcycloheptan-1-amine is CC1(C)CCCC(NCc2ccc(Br)s2)CC1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-4,4-dimethylcycloheptan-1-amine?
The InChIKey is LFNDJURDZXGYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNS/c1-14(2)8-3-4-11(7-9-14)16-10-12-5-6-13(15)17-12/h5-6,11,16H,3-4,7-10H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-4,4-dimethylcycloheptan-1-amine?
N-[(5-bromothiophen-2-yl)methyl]-4,4-dimethylcycloheptan-1-amine has a molecular weight of 316.31 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-4,4-dimethylcycloheptan-1-amine is sourced from PubChem (CID 65083500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).