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

C13H20BrNS — CID 55218464

IUPACN-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine
SMILESCC1CCCCC1N(C)Cc1cc(Br)cs1
InChIInChI=1S/C13H20BrNS/c1-10-5-3-4-6-13(10)15(2)8-12-7-11(14)9-16-12/h7,9-10,13H,3-6,8H2,1-2H3
InChIKeyRICZCWAZMXRQGT-UHFFFAOYSA-N
MW302.28 g/mol
LogP4.52
Rot. Bonds3

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

N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine (PubChem CID 55218464) has the molecular formula C13H20BrNS and a molecular weight of 302.28 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine
PubChem CID55218464
Molecular FormulaC13H20BrNS
Molecular Weight302.28 g/mol
Exact Mass301.05
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine
SMILESCC1CCCCC1N(C)Cc1cc(Br)cs1
InChIInChI=1S/C13H20BrNS/c1-10-5-3-4-6-13(10)15(2)8-12-7-11(14)9-16-12/h7,9-10,13H,3-6,8H2,1-2H3
InChIKeyRICZCWAZMXRQGT-UHFFFAOYSA-N
XLogP4.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine (CID 55218464) is N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine is CC1CCCCC1N(C)Cc1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine?
The InChIKey is RICZCWAZMXRQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNS/c1-10-5-3-4-6-13(10)15(2)8-12-7-11(14)9-16-12/h7,9-10,13H,3-6,8H2,1-2H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine?
N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine has a molecular weight of 302.28 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 55218464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).